REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2wva_1_V DATA FIRST_RESID 2 DATA SEQUENCE SYTVGTYLAE RLVQIGLKHH FAVAGDYNLV LLDNLLLNKN MEQVYCCNEL DATA SEQUENCE NCGFSAEGYA RAKGAAAAVV TYSVGALSAF DAIGGAYAEN LPVILISGAP DATA SEQUENCE NNNDHAAGHV LHHALGKTDY HYQLEMAKNI TAAAEAIYTP EEAPAKIDHV DATA SEQUENCE IKTALREKKP VYLEIACNIA SMPCAAPGPA SALFNDEASD EASLNAAVEE DATA SEQUENCE TLKFIANRDK VAVLVGSKLR AAGAEEAAVK FADALGGAVA TMAAAKSFFP DATA SEQUENCE EENPHYIGTS WGEVSYPGVE KTMKEADAVI ALAPVFNDYS TTGWTDIPDP DATA SEQUENCE KKLVLAEPRS VVVNGIRFPS VHLKDYLTRL AQKVSKKTGA LDFFKSLNAG DATA SEQUENCE ELKKAAPADP SAPLVNAEIA RQVEALLTPN TTVIAETGDS WFNAQRMKLP DATA SEQUENCE NGARVEYEMQ WGHIGWSVPA AFGYAVGAPE RRNILMVGDG SFQLTAQEVA DATA SEQUENCE QMVRLKLPVI IFLINNYGYT IEVMIHDGPY NNIKNWDYAG LMEVFNGNGG DATA SEQUENCE YDSGAGKGLK AKTGGELAEA IKVALANTDG PTLIECFIGR EDCTEELVKW DATA SEQUENCE GKRVAAANSR KPVNK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.486 174.600 -0.191 0.000 1.055 2 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 2 S CB 0.000 63.210 63.200 0.016 0.000 0.593 3 Y N 1.072 121.400 120.300 0.047 0.000 2.487 3 Y HA 0.740 5.291 4.550 0.001 0.000 0.337 3 Y C 1.134 177.071 175.900 0.062 0.000 1.076 3 Y CA 0.029 58.170 58.100 0.068 0.000 1.115 3 Y CB 2.159 40.696 38.460 0.128 0.000 1.235 3 Y HN 1.008 nan 8.280 nan 0.000 0.468 4 T N -2.761 111.917 114.554 0.206 0.000 2.949 4 T HA 0.353 4.704 4.350 0.001 0.000 0.287 4 T C 0.860 175.656 174.700 0.159 0.000 1.034 4 T CA -0.756 61.423 62.100 0.132 0.000 1.018 4 T CB 1.086 69.998 68.868 0.072 0.000 1.135 4 T HN 0.358 nan 8.240 nan 0.000 0.532 5 V N 1.689 121.650 119.914 0.078 0.000 2.278 5 V HA -0.143 3.977 4.120 0.001 0.000 0.251 5 V C 2.848 178.993 176.094 0.085 0.000 1.062 5 V CA 2.689 65.014 62.300 0.041 0.000 1.038 5 V CB -1.492 30.326 31.823 -0.007 0.000 0.646 5 V HN 1.115 nan 8.190 nan 0.000 0.447 6 G N -0.355 108.489 108.800 0.073 0.000 2.402 6 G HA2 -0.240 3.720 3.960 0.001 0.000 0.216 6 G HA3 -0.240 3.720 3.960 0.001 0.000 0.216 6 G C 1.743 176.697 174.900 0.089 0.000 1.162 6 G CA 1.478 46.614 45.100 0.060 0.000 0.777 6 G HN 0.595 nan 8.290 nan 0.000 0.539 7 T N -2.720 111.918 114.554 0.139 0.000 2.985 7 T HA -0.055 4.296 4.350 0.001 0.000 0.266 7 T C 2.071 176.965 174.700 0.322 0.000 1.076 7 T CA 1.016 63.225 62.100 0.180 0.000 1.135 7 T CB -0.353 68.585 68.868 0.117 0.000 0.890 7 T HN 0.246 nan 8.240 nan 0.000 0.480 8 Y N 1.765 122.184 120.300 0.199 0.000 2.114 8 Y HA 0.004 4.554 4.550 0.001 0.000 0.284 8 Y C 2.182 178.066 175.900 -0.027 0.000 1.143 8 Y CA 1.359 59.476 58.100 0.029 0.000 1.135 8 Y CB -0.629 37.811 38.460 -0.033 0.000 0.980 8 Y HN 0.229 nan 8.280 nan 0.000 0.499 9 L N 0.688 122.049 121.223 0.232 0.000 2.012 9 L HA -0.149 4.192 4.340 0.001 0.000 0.210 9 L C 2.443 179.303 176.870 -0.017 0.000 1.073 9 L CA 2.311 57.206 54.840 0.091 0.000 0.748 9 L CB -1.396 40.685 42.059 0.037 0.000 0.891 9 L HN 0.258 nan 8.230 nan 0.000 0.431 10 A N -0.823 121.987 122.820 -0.016 0.000 1.940 10 A HA -0.273 4.048 4.320 0.001 0.000 0.219 10 A C 2.251 179.812 177.584 -0.038 0.000 1.176 10 A CA 1.873 53.877 52.037 -0.054 0.000 0.631 10 A CB -0.751 18.232 19.000 -0.028 0.000 0.814 10 A HN 0.605 nan 8.150 nan 0.000 0.446 11 E N -0.166 120.017 120.200 -0.029 0.000 2.047 11 E HA -0.161 4.189 4.350 0.001 0.000 0.191 11 E C 2.174 178.699 176.600 -0.125 0.000 0.987 11 E CA 1.160 57.523 56.400 -0.062 0.000 0.799 11 E CB -0.181 29.471 29.700 -0.079 0.000 0.752 11 E HN 0.350 nan 8.360 nan 0.000 0.449 12 R N 0.267 120.651 120.500 -0.195 0.000 2.103 12 R HA -0.112 4.228 4.340 0.001 0.000 0.242 12 R C 2.513 178.764 176.300 -0.081 0.000 1.142 12 R CA 1.272 57.276 56.100 -0.159 0.000 0.960 12 R CB -1.093 29.122 30.300 -0.143 0.000 0.858 12 R HN 0.349 nan 8.270 nan 0.000 0.439 13 L N 0.020 121.205 121.223 -0.063 0.000 2.046 13 L HA -0.140 4.201 4.340 0.001 0.000 0.208 13 L C 2.461 179.332 176.870 0.000 0.000 1.077 13 L CA 0.920 55.741 54.840 -0.032 0.000 0.747 13 L CB -0.515 41.511 42.059 -0.054 0.000 0.896 13 L HN -0.053 nan 8.230 nan 0.000 0.432 14 V N -0.466 119.442 119.914 -0.010 0.000 2.427 14 V HA -0.284 3.837 4.120 0.001 0.000 0.248 14 V C 2.416 178.526 176.094 0.027 0.000 1.051 14 V CA 1.581 63.886 62.300 0.008 0.000 1.048 14 V CB -0.468 31.352 31.823 -0.004 0.000 0.666 14 V HN 0.497 nan 8.190 nan 0.000 0.456 15 Q N -0.223 119.586 119.800 0.015 0.000 2.226 15 Q HA -0.117 4.223 4.340 0.001 0.000 0.204 15 Q C 2.028 178.123 176.000 0.158 0.000 0.975 15 Q CA 1.757 57.592 55.803 0.054 0.000 0.866 15 Q CB -0.180 28.565 28.738 0.012 0.000 0.915 15 Q HN 0.868 nan 8.270 nan 0.000 0.440 16 I N -4.748 115.900 120.570 0.130 0.000 3.793 16 I HA 0.343 4.513 4.170 0.001 0.000 0.315 16 I C 0.916 177.181 176.117 0.247 0.000 1.275 16 I CA 0.707 62.152 61.300 0.242 0.000 1.214 16 I CB 0.292 38.295 38.000 0.005 0.000 1.018 16 I HN 0.164 nan 8.210 nan 0.000 0.439 17 G N 1.461 110.352 108.800 0.152 0.000 2.184 17 G HA2 -0.170 3.791 3.960 0.001 0.000 0.206 17 G HA3 -0.170 3.791 3.960 0.001 0.000 0.206 17 G C -0.211 174.765 174.900 0.128 0.000 0.995 17 G CA -0.379 44.790 45.100 0.115 0.000 0.651 17 G HN 0.219 nan 8.290 nan 0.000 0.511 18 L N 0.970 122.278 121.223 0.142 0.000 2.455 18 L HA 0.415 4.756 4.340 0.001 0.000 0.272 18 L C 1.448 178.390 176.870 0.121 0.000 1.174 18 L CA 0.485 55.444 54.840 0.197 0.000 0.869 18 L CB 0.937 43.078 42.059 0.137 0.000 1.130 18 L HN 0.017 nan 8.230 nan 0.000 0.474 19 K N 2.128 122.640 120.400 0.186 0.000 2.355 19 K HA 0.245 4.565 4.320 0.001 0.000 0.198 19 K C -0.314 176.006 176.600 -0.467 0.000 1.039 19 K CA 0.093 56.332 56.287 -0.079 0.000 1.075 19 K CB 0.347 32.814 32.500 -0.054 0.000 0.870 19 K HN 0.607 nan 8.250 nan 0.000 0.540 20 H N -0.461 118.516 119.070 -0.156 0.000 2.980 20 H HA 0.363 4.920 4.556 0.001 0.000 0.367 20 H C -0.381 174.597 175.328 -0.584 0.000 1.206 20 H CA -0.954 54.792 56.048 -0.503 0.000 1.126 20 H CB 1.348 30.646 29.762 -0.773 0.000 1.838 20 H HN 0.048 nan 8.280 nan 0.000 0.552 21 H N 0.116 118.868 119.070 -0.529 0.000 2.895 21 H HA 0.475 5.032 4.556 0.001 0.000 0.373 21 H C -1.598 173.373 175.328 -0.595 0.000 1.174 21 H CA -0.932 54.849 56.048 -0.446 0.000 1.144 21 H CB 1.249 30.898 29.762 -0.189 0.000 1.793 21 H HN 0.363 nan 8.280 nan 0.000 0.551 22 F N 0.702 120.602 119.950 -0.084 0.000 2.450 22 F HA 0.704 5.231 4.527 0.001 0.000 0.332 22 F C 0.297 176.113 175.800 0.027 0.000 1.093 22 F CA -0.383 57.567 58.000 -0.082 0.000 1.003 22 F CB 2.135 41.115 39.000 -0.034 0.000 1.151 22 F HN 0.866 nan 8.300 nan 0.000 0.474 23 A N 1.483 124.418 122.820 0.192 0.000 2.572 23 A HA 0.852 5.173 4.320 0.001 0.000 0.295 23 A C -1.914 175.834 177.584 0.274 0.000 1.072 23 A CA -0.741 51.434 52.037 0.229 0.000 0.691 23 A CB 1.636 20.785 19.000 0.247 0.000 1.291 23 A HN 0.496 nan 8.150 nan 0.000 0.404 24 V N 1.341 121.380 119.914 0.208 0.000 2.483 24 V HA 0.649 4.769 4.120 0.001 0.000 0.297 24 V C 0.662 176.835 176.094 0.133 0.000 1.027 24 V CA -0.344 62.054 62.300 0.164 0.000 0.855 24 V CB 1.189 33.074 31.823 0.103 0.000 0.995 24 V HN 1.487 nan 8.190 nan 0.000 0.424 25 A N 3.447 126.328 122.820 0.101 0.000 2.445 25 A HA 0.784 5.105 4.320 0.001 0.000 0.242 25 A C 0.619 178.253 177.584 0.083 0.000 1.075 25 A CA 0.632 52.715 52.037 0.077 0.000 0.777 25 A CB 0.413 19.415 19.000 0.004 0.000 1.013 25 A HN 1.468 nan 8.150 nan 0.000 0.493 26 G N 0.305 109.170 108.800 0.108 0.000 2.703 26 G HA2 0.454 4.414 3.960 0.001 0.000 0.294 26 G HA3 0.454 4.414 3.960 0.001 0.000 0.294 26 G C -0.024 174.958 174.900 0.137 0.000 1.451 26 G CA 0.235 45.425 45.100 0.150 0.000 0.869 26 G HN 0.700 nan 8.290 nan 0.000 0.516 27 D N -0.263 120.196 120.400 0.098 0.000 2.221 27 D HA -0.199 4.441 4.640 0.001 0.000 0.204 27 D C 1.145 177.433 176.300 -0.020 0.000 0.982 27 D CA 1.311 55.301 54.000 -0.016 0.000 0.857 27 D CB -0.152 40.574 40.800 -0.124 0.000 0.934 27 D HN 0.401 nan 8.370 nan 0.000 0.475 28 Y N 0.781 121.175 120.300 0.158 0.000 2.561 28 Y HA 0.024 4.575 4.550 0.001 0.000 0.291 28 Y C 1.448 177.394 175.900 0.077 0.000 1.141 28 Y CA 1.078 59.241 58.100 0.105 0.000 1.303 28 Y CB -0.262 38.270 38.460 0.119 0.000 1.015 28 Y HN 0.214 nan 8.280 nan 0.000 0.547 29 N N -1.530 117.294 118.700 0.207 0.000 2.143 29 N HA 0.037 4.777 4.740 0.001 0.000 0.222 29 N C 0.849 176.421 175.510 0.103 0.000 1.264 29 N CA 0.152 53.287 53.050 0.143 0.000 0.897 29 N CB -0.866 37.706 38.487 0.141 0.000 1.092 29 N HN 0.245 nan 8.380 nan 0.000 0.516 30 L N -0.010 121.264 121.223 0.084 0.000 2.012 30 L HA -0.077 4.263 4.340 0.001 0.000 0.210 30 L C 1.936 178.838 176.870 0.054 0.000 1.073 30 L CA 1.193 56.068 54.840 0.059 0.000 0.748 30 L CB -0.512 41.565 42.059 0.030 0.000 0.891 30 L HN 0.018 nan 8.230 nan 0.000 0.431 31 V N -0.078 119.864 119.914 0.047 0.000 2.343 31 V HA -0.271 3.849 4.120 0.001 0.000 0.247 31 V C 2.412 178.533 176.094 0.045 0.000 1.051 31 V CA 1.511 63.835 62.300 0.040 0.000 1.036 31 V CB -0.422 31.421 31.823 0.034 0.000 0.654 31 V HN 0.316 nan 8.190 nan 0.000 0.451 32 L N -0.124 121.131 121.223 0.052 0.000 2.012 32 L HA -0.176 4.165 4.340 0.001 0.000 0.210 32 L C 2.203 179.104 176.870 0.051 0.000 1.073 32 L CA 1.953 56.820 54.840 0.044 0.000 0.748 32 L CB -0.605 41.480 42.059 0.043 0.000 0.891 32 L HN 0.212 nan 8.230 nan 0.000 0.431 33 L N -0.779 120.491 121.223 0.079 0.000 2.083 33 L HA -0.220 4.120 4.340 0.001 0.000 0.209 33 L C 2.284 179.216 176.870 0.103 0.000 1.083 33 L CA 1.293 56.203 54.840 0.117 0.000 0.752 33 L CB -0.924 41.230 42.059 0.158 0.000 0.899 33 L HN 0.298 nan 8.230 nan 0.000 0.433 34 D N 0.105 120.549 120.400 0.073 0.000 2.104 34 D HA -0.189 4.452 4.640 0.001 0.000 0.194 34 D C 1.965 178.292 176.300 0.046 0.000 0.994 34 D CA 1.161 55.194 54.000 0.056 0.000 0.830 34 D CB -0.313 40.509 40.800 0.037 0.000 0.959 34 D HN 0.339 nan 8.370 nan 0.000 0.452 35 N N 0.202 118.925 118.700 0.038 0.000 2.244 35 N HA -0.063 4.678 4.740 0.001 0.000 0.183 35 N C 2.058 177.582 175.510 0.024 0.000 1.016 35 N CA 0.382 53.449 53.050 0.028 0.000 0.866 35 N CB 0.017 38.523 38.487 0.031 0.000 0.980 35 N HN 0.219 nan 8.380 nan 0.000 0.430 36 L N 0.979 122.215 121.223 0.021 0.000 2.141 36 L HA -0.080 4.260 4.340 0.001 0.000 0.209 36 L C 2.214 179.124 176.870 0.066 0.000 1.094 36 L CA 0.618 55.455 54.840 -0.005 0.000 0.763 36 L CB -0.277 41.725 42.059 -0.096 0.000 0.908 36 L HN 0.123 nan 8.230 nan 0.000 0.437 37 L N -0.541 120.734 121.223 0.086 0.000 2.275 37 L HA -0.189 4.151 4.340 0.001 0.000 0.215 37 L C 2.333 179.225 176.870 0.037 0.000 1.119 37 L CA 0.678 55.563 54.840 0.075 0.000 0.790 37 L CB -0.230 41.875 42.059 0.077 0.000 0.919 37 L HN 0.304 nan 8.230 nan 0.000 0.443 38 L N -0.758 120.479 121.223 0.023 0.000 2.141 38 L HA -0.141 4.199 4.340 0.001 0.000 0.209 38 L C 1.203 178.069 176.870 -0.006 0.000 1.094 38 L CA 0.483 55.324 54.840 0.001 0.000 0.763 38 L CB -0.441 41.612 42.059 -0.010 0.000 0.908 38 L HN 0.310 nan 8.230 nan 0.000 0.437 39 N N 1.040 119.742 118.700 0.004 0.000 2.415 39 N HA -0.006 4.734 4.740 0.001 0.000 0.246 39 N C 0.538 176.044 175.510 -0.006 0.000 1.078 39 N CA 0.113 53.162 53.050 -0.001 0.000 0.942 39 N CB 1.002 39.494 38.487 0.008 0.000 1.140 39 N HN 0.004 nan 8.380 nan 0.000 0.501 40 K N 2.279 122.669 120.400 -0.017 0.000 2.487 40 K HA 0.088 4.409 4.320 0.001 0.000 0.192 40 K C 0.425 176.999 176.600 -0.043 0.000 1.027 40 K CA 0.138 56.408 56.287 -0.028 0.000 1.054 40 K CB 0.266 32.751 32.500 -0.026 0.000 0.824 40 K HN 0.515 nan 8.250 nan 0.000 0.510 41 N N 1.152 119.830 118.700 -0.037 0.000 2.461 41 N HA -0.004 4.736 4.740 0.001 0.000 0.188 41 N C 0.745 176.208 175.510 -0.079 0.000 1.134 41 N CA 0.383 53.404 53.050 -0.048 0.000 0.878 41 N CB 0.173 38.642 38.487 -0.029 0.000 0.972 41 N HN 0.381 nan 8.380 nan 0.000 0.456 42 M N -1.552 117.997 119.600 -0.085 0.000 2.575 42 M HA 0.492 4.972 4.480 0.001 0.000 0.284 42 M C -1.360 174.831 176.300 -0.183 0.000 1.253 42 M CA -0.824 54.384 55.300 -0.153 0.000 0.861 42 M CB 2.565 35.125 32.600 -0.067 0.000 1.733 42 M HN -0.294 nan 8.290 nan 0.000 0.462 43 E N 1.061 121.054 120.200 -0.345 0.000 2.248 43 E HA 0.334 4.685 4.350 0.001 0.000 0.272 43 E C -1.349 174.930 176.600 -0.535 0.000 1.008 43 E CA -0.787 55.413 56.400 -0.334 0.000 0.856 43 E CB 2.027 31.552 29.700 -0.291 0.000 1.120 43 E HN 0.614 nan 8.360 nan 0.000 0.397 44 Q N 1.775 121.239 119.800 -0.561 0.000 2.340 44 Q HA 0.315 4.655 4.340 0.001 0.000 0.259 44 Q C -1.481 173.950 176.000 -0.948 0.000 0.964 44 Q CA -0.519 54.731 55.803 -0.920 0.000 0.900 44 Q CB 1.122 29.530 28.738 -0.550 0.000 1.228 44 Q HN 0.256 nan 8.270 nan 0.000 0.449 45 V N 5.270 124.614 119.914 -0.949 0.000 2.398 45 V HA 0.326 4.447 4.120 0.001 0.000 0.286 45 V C -0.938 174.846 176.094 -0.517 0.000 1.026 45 V CA -0.707 61.184 62.300 -0.683 0.000 0.868 45 V CB 0.657 32.128 31.823 -0.587 0.000 0.982 45 V HN 0.655 nan 8.190 nan 0.000 0.443 46 Y N 2.555 122.892 120.300 0.061 0.000 2.310 46 Y HA 0.610 5.161 4.550 0.001 0.000 0.326 46 Y C 0.559 176.532 175.900 0.122 0.000 1.151 46 Y CA -0.673 57.476 58.100 0.082 0.000 1.195 46 Y CB 1.158 39.638 38.460 0.032 0.000 1.210 46 Y HN 0.564 nan 8.280 nan 0.000 0.483 47 C N 0.276 119.732 119.300 0.260 0.000 2.719 47 C HA 0.356 4.816 4.460 0.001 0.000 0.327 47 C C 1.506 176.534 174.990 0.062 0.000 1.238 47 C CA -0.705 58.395 59.018 0.136 0.000 1.727 47 C CB 1.517 29.356 27.740 0.164 0.000 2.256 47 C HN 1.110 nan 8.230 nan 0.000 0.489 48 C N 1.429 120.720 119.300 -0.014 0.000 2.489 48 C HA 0.011 4.471 4.460 0.001 0.000 0.279 48 C C 0.967 175.961 174.990 0.008 0.000 1.266 48 C CA 1.000 60.003 59.018 -0.025 0.000 1.707 48 C CB -1.453 26.243 27.740 -0.073 0.000 2.059 48 C HN 1.005 nan 8.230 nan 0.000 0.481 49 N N -0.643 118.067 118.700 0.016 0.000 2.697 49 N HA 0.300 5.040 4.740 0.001 0.000 0.272 49 N C -0.371 175.154 175.510 0.024 0.000 1.381 49 N CA -0.587 52.477 53.050 0.023 0.000 0.797 49 N CB 0.452 38.955 38.487 0.026 0.000 1.523 49 N HN -0.091 nan 8.380 nan 0.000 0.518 50 E N -0.471 119.734 120.200 0.009 0.000 2.208 50 E HA 0.038 4.389 4.350 0.001 0.000 0.193 50 E C 1.359 177.934 176.600 -0.042 0.000 0.988 50 E CA 0.414 56.809 56.400 -0.009 0.000 0.828 50 E CB -0.156 29.523 29.700 -0.035 0.000 0.763 50 E HN 0.534 nan 8.360 nan 0.000 0.478 51 L N 1.046 122.248 121.223 -0.036 0.000 2.017 51 L HA -0.158 4.183 4.340 0.001 0.000 0.208 51 L C 1.340 178.172 176.870 -0.062 0.000 1.073 51 L CA 1.747 56.536 54.840 -0.085 0.000 0.745 51 L CB -0.430 41.638 42.059 0.015 0.000 0.894 51 L HN 0.030 nan 8.230 nan 0.000 0.432 52 N N -1.152 117.576 118.700 0.047 0.000 2.223 52 N HA -0.204 4.536 4.740 0.001 0.000 0.185 52 N C 2.002 177.542 175.510 0.051 0.000 1.016 52 N CA 1.399 54.505 53.050 0.093 0.000 0.863 52 N CB -1.037 37.480 38.487 0.051 0.000 0.983 52 N HN 0.535 nan 8.380 nan 0.000 0.429 53 C N 0.282 119.595 119.300 0.022 0.000 2.432 53 C HA 0.041 4.501 4.460 0.001 0.000 0.277 53 C C 2.738 177.699 174.990 -0.048 0.000 1.249 53 C CA 1.240 60.277 59.018 0.031 0.000 1.725 53 C CB -1.259 26.526 27.740 0.076 0.000 2.028 53 C HN 0.513 nan 8.230 nan 0.000 0.477 54 G N -0.714 108.031 108.800 -0.092 0.000 2.418 54 G HA2 -0.168 3.793 3.960 0.001 0.000 0.217 54 G HA3 -0.168 3.793 3.960 0.001 0.000 0.217 54 G C 1.321 176.152 174.900 -0.115 0.000 1.158 54 G CA 0.835 45.846 45.100 -0.149 0.000 0.771 54 G HN 0.482 nan 8.290 nan 0.000 0.545 55 F N 1.719 121.662 119.950 -0.011 0.000 2.325 55 F HA 0.067 4.594 4.527 0.001 0.000 0.299 55 F C 2.966 178.709 175.800 -0.095 0.000 1.090 55 F CA 0.774 58.785 58.000 0.018 0.000 1.392 55 F CB -0.373 38.652 39.000 0.042 0.000 1.053 55 F HN 0.080 nan 8.300 nan 0.000 0.521 56 S N 0.037 115.711 115.700 -0.044 0.000 2.368 56 S HA -0.153 4.317 4.470 0.001 0.000 0.224 56 S C 2.425 176.628 174.600 -0.662 0.000 1.029 56 S CA 1.058 59.040 58.200 -0.364 0.000 0.988 56 S CB -0.648 62.255 63.200 -0.494 0.000 0.838 56 S HN 0.348 nan 8.310 nan 0.000 0.462 57 A N 1.564 124.041 122.820 -0.570 0.000 1.902 57 A HA -0.131 4.189 4.320 0.001 0.000 0.217 57 A C 2.092 179.699 177.584 0.037 0.000 1.181 57 A CA 1.391 53.270 52.037 -0.263 0.000 0.623 57 A CB -0.534 18.445 19.000 -0.036 0.000 0.818 57 A HN 0.434 nan 8.150 nan 0.000 0.443 58 E N -0.115 120.142 120.200 0.094 0.000 2.085 58 E HA -0.175 4.176 4.350 0.001 0.000 0.194 58 E C 2.126 178.884 176.600 0.264 0.000 0.994 58 E CA 1.441 57.978 56.400 0.228 0.000 0.801 58 E CB -0.458 29.483 29.700 0.402 0.000 0.743 58 E HN 0.514 nan 8.360 nan 0.000 0.453 59 G N -0.494 108.431 108.800 0.207 0.000 2.408 59 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 59 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 59 G C 1.505 176.546 174.900 0.235 0.000 1.150 59 G CA 0.691 45.923 45.100 0.220 0.000 0.776 59 G HN 0.341 nan 8.290 nan 0.000 0.542 60 Y N 1.919 122.230 120.300 0.019 0.000 2.181 60 Y HA -0.026 4.525 4.550 0.001 0.000 0.288 60 Y C 2.945 178.880 175.900 0.060 0.000 1.146 60 Y CA 1.422 59.542 58.100 0.033 0.000 1.164 60 Y CB -0.225 38.328 38.460 0.155 0.000 0.982 60 Y HN 0.245 nan 8.280 nan 0.000 0.515 61 A N 0.346 123.311 122.820 0.242 0.000 1.978 61 A HA -0.224 4.097 4.320 0.001 0.000 0.220 61 A C 2.239 179.877 177.584 0.089 0.000 1.170 61 A CA 1.844 53.973 52.037 0.153 0.000 0.636 61 A CB -0.597 18.496 19.000 0.156 0.000 0.810 61 A HN 0.543 nan 8.150 nan 0.000 0.448 62 R N -0.802 119.793 120.500 0.157 0.000 2.148 62 R HA -0.010 4.331 4.340 0.001 0.000 0.227 62 R C 2.295 178.679 176.300 0.140 0.000 1.103 62 R CA 1.084 57.310 56.100 0.210 0.000 0.983 62 R CB -0.284 30.234 30.300 0.363 0.000 0.874 62 R HN 0.529 nan 8.270 nan 0.000 0.451 63 A N 0.551 123.316 122.820 -0.092 0.000 1.943 63 A HA 0.005 4.326 4.320 0.001 0.000 0.213 63 A C 1.572 178.956 177.584 -0.333 0.000 1.181 63 A CA 0.848 52.623 52.037 -0.437 0.000 0.653 63 A CB 0.307 18.748 19.000 -0.931 0.000 0.833 63 A HN 0.007 nan 8.150 nan 0.000 0.451 64 K N -2.187 118.022 120.400 -0.317 0.000 2.440 64 K HA 0.276 4.596 4.320 0.001 0.000 0.207 64 K C 1.067 177.623 176.600 -0.072 0.000 1.112 64 K CA 0.795 56.936 56.287 -0.243 0.000 1.036 64 K CB 1.172 33.435 32.500 -0.395 0.000 0.935 64 K HN 0.656 nan 8.250 nan 0.000 0.564 65 G N 1.290 110.073 108.800 -0.029 0.000 2.279 65 G HA2 -0.226 3.734 3.960 0.001 0.000 0.223 65 G HA3 -0.226 3.734 3.960 0.001 0.000 0.223 65 G C 0.219 175.155 174.900 0.060 0.000 1.015 65 G CA 0.094 45.206 45.100 0.021 0.000 0.621 65 G HN 0.626 nan 8.290 nan 0.000 0.506 66 A N -1.080 121.802 122.820 0.103 0.000 2.581 66 A HA 1.160 5.480 4.320 0.001 0.000 0.290 66 A C -0.288 177.448 177.584 0.254 0.000 1.119 66 A CA 0.715 52.830 52.037 0.131 0.000 0.670 66 A CB 0.829 19.883 19.000 0.091 0.000 1.280 66 A HN 2.296 nan 8.150 nan 0.000 0.425 67 A N -1.245 121.707 122.820 0.220 0.000 2.540 67 A HA 1.003 5.323 4.320 0.001 0.000 0.291 67 A C -0.783 176.898 177.584 0.161 0.000 1.083 67 A CA 0.063 52.264 52.037 0.273 0.000 0.650 67 A CB 0.473 19.690 19.000 0.363 0.000 1.292 67 A HN 2.666 nan 8.150 nan 0.000 0.435 68 A N -0.586 122.335 122.820 0.168 0.000 2.486 68 A HA 0.978 5.298 4.320 0.001 0.000 0.300 68 A C -0.448 177.261 177.584 0.208 0.000 1.048 68 A CA 0.093 52.211 52.037 0.135 0.000 0.696 68 A CB 1.373 20.415 19.000 0.071 0.000 1.278 68 A HN 2.569 nan 8.150 nan 0.000 0.405 69 A N 1.038 123.950 122.820 0.152 0.000 2.393 69 A HA 0.737 5.058 4.320 0.001 0.000 0.306 69 A C -1.136 176.521 177.584 0.122 0.000 1.050 69 A CA -0.494 51.646 52.037 0.172 0.000 0.724 69 A CB 1.479 20.550 19.000 0.118 0.000 1.248 69 A HN 1.413 nan 8.150 nan 0.000 0.424 70 V N 2.952 122.953 119.914 0.145 0.000 2.444 70 V HA 0.667 4.787 4.120 0.001 0.000 0.294 70 V C 0.080 176.240 176.094 0.110 0.000 1.022 70 V CA -0.379 61.986 62.300 0.109 0.000 0.850 70 V CB 1.051 32.949 31.823 0.125 0.000 0.992 70 V HN 1.225 nan 8.190 nan 0.000 0.426 71 V N 1.473 121.434 119.914 0.078 0.000 3.158 71 V HA 0.793 4.914 4.120 0.001 0.000 0.311 71 V C -0.249 175.895 176.094 0.083 0.000 1.181 71 V CA -0.622 61.719 62.300 0.068 0.000 1.054 71 V CB 2.019 33.854 31.823 0.020 0.000 1.085 71 V HN 0.702 nan 8.190 nan 0.000 0.446 72 T N -0.115 114.491 114.554 0.086 0.000 2.934 72 T HA 0.487 4.838 4.350 0.001 0.000 0.283 72 T C -0.819 173.957 174.700 0.127 0.000 1.005 72 T CA -0.202 61.998 62.100 0.167 0.000 1.041 72 T CB 0.659 69.661 68.868 0.223 0.000 1.042 72 T HN 0.790 nan 8.240 nan 0.000 0.505 73 Y N 3.150 123.476 120.300 0.043 0.000 2.717 73 Y HA 0.152 4.702 4.550 0.001 0.000 0.330 73 Y C 1.597 177.456 175.900 -0.069 0.000 1.217 73 Y CA 1.629 59.657 58.100 -0.120 0.000 1.506 73 Y CB -0.317 37.842 38.460 -0.501 0.000 1.268 73 Y HN 1.019 nan 8.280 nan 0.000 0.561 74 S N 1.003 116.284 115.700 -0.699 0.000 3.844 74 S HA -0.349 4.121 4.470 0.001 0.000 0.256 74 S C 1.417 175.862 174.600 -0.257 0.000 1.740 74 S CA 2.323 60.228 58.200 -0.491 0.000 3.913 74 S CB -1.859 61.169 63.200 -0.287 0.000 0.658 74 S HN 1.184 nan 8.310 nan 0.000 0.463 75 V N 0.845 120.636 119.914 -0.204 0.000 2.490 75 V HA 0.143 4.264 4.120 0.001 0.000 0.250 75 V C 2.183 178.173 176.094 -0.172 0.000 1.061 75 V CA 2.568 64.753 62.300 -0.192 0.000 1.064 75 V CB -1.506 30.141 31.823 -0.295 0.000 0.670 75 V HN 0.731 nan 8.190 nan 0.000 0.461 76 G N -0.256 108.442 108.800 -0.169 0.000 2.417 76 G HA2 0.089 4.050 3.960 0.001 0.000 0.212 76 G HA3 0.089 4.050 3.960 0.001 0.000 0.212 76 G C 1.719 176.501 174.900 -0.198 0.000 1.187 76 G CA 0.887 45.912 45.100 -0.126 0.000 0.804 76 G HN 0.777 nan 8.290 nan 0.000 0.534 77 A N 0.565 123.210 122.820 -0.291 0.000 1.877 77 A HA 0.044 4.365 4.320 0.001 0.000 0.216 77 A C 2.382 179.429 177.584 -0.896 0.000 1.186 77 A CA 1.516 53.242 52.037 -0.517 0.000 0.620 77 A CB -0.550 18.138 19.000 -0.520 0.000 0.822 77 A HN 0.276 nan 8.150 nan 0.000 0.443 78 L N 0.838 121.634 121.223 -0.713 0.000 2.012 78 L HA -0.213 4.127 4.340 0.001 0.000 0.210 78 L C 3.062 179.784 176.870 -0.246 0.000 1.073 78 L CA 2.553 57.066 54.840 -0.545 0.000 0.748 78 L CB -0.785 41.150 42.059 -0.206 0.000 0.891 78 L HN 0.598 nan 8.230 nan 0.000 0.431 79 S N -1.099 114.505 115.700 -0.161 0.000 2.383 79 S HA -0.124 4.346 4.470 0.001 0.000 0.227 79 S C 2.132 176.694 174.600 -0.063 0.000 1.026 79 S CA 0.733 58.902 58.200 -0.051 0.000 0.981 79 S CB -0.814 62.369 63.200 -0.029 0.000 0.818 79 S HN 0.338 nan 8.310 nan 0.000 0.472 80 A N 1.303 124.042 122.820 -0.135 0.000 1.972 80 A HA 0.080 4.401 4.320 0.001 0.000 0.219 80 A C 1.829 179.424 177.584 0.018 0.000 1.169 80 A CA 1.177 53.150 52.037 -0.106 0.000 0.635 80 A CB -1.035 17.907 19.000 -0.096 0.000 0.810 80 A HN 0.471 nan 8.150 nan 0.000 0.446 81 F N 0.628 120.551 119.950 -0.046 0.000 2.192 81 F HA -0.188 4.339 4.527 0.001 0.000 0.301 81 F C 2.161 177.950 175.800 -0.018 0.000 1.079 81 F CA 1.190 59.168 58.000 -0.038 0.000 1.303 81 F CB -0.901 38.086 39.000 -0.021 0.000 1.024 81 F HN 0.327 nan 8.300 nan 0.000 0.494 82 D N -0.011 120.516 120.400 0.212 0.000 2.117 82 D HA -0.131 4.509 4.640 0.001 0.000 0.197 82 D C 2.255 178.603 176.300 0.081 0.000 0.987 82 D CA 1.346 55.515 54.000 0.282 0.000 0.829 82 D CB -0.146 40.824 40.800 0.284 0.000 0.961 82 D HN 0.193 nan 8.370 nan 0.000 0.460 83 A N 0.477 123.089 122.820 -0.348 0.000 1.969 83 A HA -0.088 4.232 4.320 0.001 0.000 0.218 83 A C 2.224 179.609 177.584 -0.332 0.000 1.169 83 A CA 0.683 52.255 52.037 -0.774 0.000 0.635 83 A CB -0.353 18.026 19.000 -1.036 0.000 0.810 83 A HN 0.243 nan 8.150 nan 0.000 0.445 84 I N 0.004 120.475 120.570 -0.164 0.000 2.286 84 I HA -0.122 4.049 4.170 0.001 0.000 0.245 84 I C 2.683 178.664 176.117 -0.227 0.000 1.104 84 I CA 1.301 62.540 61.300 -0.101 0.000 1.397 84 I CB -1.953 36.072 38.000 0.041 0.000 1.072 84 I HN 0.331 nan 8.210 nan 0.000 0.417 85 G N 0.899 109.503 108.800 -0.325 0.000 2.469 85 G HA2 -0.235 3.725 3.960 0.001 0.000 0.219 85 G HA3 -0.235 3.725 3.960 0.001 0.000 0.219 85 G C 1.739 175.799 174.900 -1.400 0.000 1.150 85 G CA 0.992 45.682 45.100 -0.683 0.000 0.763 85 G HN 0.480 nan 8.290 nan 0.000 0.561 86 G N 0.870 108.722 108.800 -1.579 0.000 2.408 86 G HA2 0.098 4.059 3.960 0.001 0.000 0.217 86 G HA3 0.098 4.059 3.960 0.001 0.000 0.217 86 G C 2.027 176.632 174.900 -0.492 0.000 1.150 86 G CA 1.404 45.586 45.100 -1.530 0.000 0.776 86 G HN 0.647 nan 8.290 nan 0.000 0.542 87 A N -0.153 122.510 122.820 -0.262 0.000 1.930 87 A HA -0.003 4.317 4.320 0.001 0.000 0.217 87 A C 2.171 179.691 177.584 -0.108 0.000 1.175 87 A CA 1.571 53.553 52.037 -0.092 0.000 0.627 87 A CB -0.614 18.368 19.000 -0.030 0.000 0.815 87 A HN 0.424 nan 8.150 nan 0.000 0.443 88 Y N 0.572 120.718 120.300 -0.256 0.000 2.145 88 Y HA -0.120 4.430 4.550 0.001 0.000 0.286 88 Y C 2.700 178.504 175.900 -0.160 0.000 1.145 88 Y CA 1.382 59.365 58.100 -0.195 0.000 1.148 88 Y CB -0.510 37.820 38.460 -0.216 0.000 0.981 88 Y HN 0.305 nan 8.280 nan 0.000 0.507 89 A N -0.210 122.625 122.820 0.024 0.000 2.019 89 A HA -0.141 4.179 4.320 0.001 0.000 0.219 89 A C 1.727 179.317 177.584 0.011 0.000 1.164 89 A CA 1.867 53.957 52.037 0.088 0.000 0.644 89 A CB -0.383 18.734 19.000 0.196 0.000 0.805 89 A HN 0.532 nan 8.150 nan 0.000 0.449 90 E N 0.144 120.314 120.200 -0.051 0.000 2.465 90 E HA 0.052 4.402 4.350 0.001 0.000 0.195 90 E C -0.597 175.972 176.600 -0.051 0.000 1.028 90 E CA -0.262 56.114 56.400 -0.041 0.000 0.899 90 E CB -0.186 29.492 29.700 -0.037 0.000 1.032 90 E HN 0.602 nan 8.360 nan 0.000 0.468 91 N N 0.822 119.452 118.700 -0.117 0.000 2.727 91 N HA -0.203 4.538 4.740 0.001 0.000 0.251 91 N C -0.730 174.721 175.510 -0.098 0.000 1.040 91 N CA 0.644 53.604 53.050 -0.150 0.000 0.712 91 N CB -1.538 36.877 38.487 -0.120 0.000 0.912 91 N HN 0.222 nan 8.380 nan 0.000 0.545 92 L N 0.229 121.405 121.223 -0.080 0.000 2.356 92 L HA 0.427 4.767 4.340 0.001 0.000 0.277 92 L C -2.111 174.741 176.870 -0.031 0.000 0.996 92 L CA -1.798 53.028 54.840 -0.024 0.000 0.822 92 L CB 2.171 44.253 42.059 0.039 0.000 1.256 92 L HN -0.230 nan 8.230 nan 0.000 0.413 93 P HA 0.081 nan 4.420 nan 0.000 0.244 93 P C -0.564 176.748 177.300 0.020 0.000 1.769 93 P CA -0.039 63.048 63.100 -0.023 0.000 1.102 93 P CB 0.080 31.761 31.700 -0.031 0.000 1.937 94 V N 4.464 124.394 119.914 0.028 0.000 2.432 94 V HA 0.246 4.366 4.120 0.001 0.000 0.275 94 V C 0.729 176.850 176.094 0.044 0.000 1.043 94 V CA -0.417 61.916 62.300 0.056 0.000 0.925 94 V CB 1.137 32.996 31.823 0.060 0.000 0.985 94 V HN 0.282 nan 8.190 nan 0.000 0.466 95 I N 5.953 126.553 120.570 0.049 0.000 2.307 95 I HA 0.310 4.480 4.170 0.001 0.000 0.289 95 I C -0.382 175.762 176.117 0.045 0.000 1.021 95 I CA -0.397 60.922 61.300 0.032 0.000 1.224 95 I CB 1.332 39.335 38.000 0.006 0.000 1.376 95 I HN 0.430 nan 8.210 nan 0.000 0.470 96 L N 8.937 130.198 121.223 0.063 0.000 2.264 96 L HA 0.554 4.894 4.340 0.001 0.000 0.289 96 L C -0.733 176.127 176.870 -0.015 0.000 1.044 96 L CA 0.097 54.984 54.840 0.078 0.000 0.807 96 L CB 0.738 42.911 42.059 0.190 0.000 1.192 96 L HN 0.393 nan 8.230 nan 0.000 0.425 97 I N 4.313 124.862 120.570 -0.034 0.000 2.389 97 I HA 0.431 4.601 4.170 0.001 0.000 0.288 97 I C -0.030 176.045 176.117 -0.070 0.000 0.999 97 I CA -0.055 61.177 61.300 -0.113 0.000 1.129 97 I CB 1.847 39.799 38.000 -0.081 0.000 1.288 97 I HN 0.596 nan 8.210 nan 0.000 0.444 98 S N 3.855 119.476 115.700 -0.131 0.000 2.501 98 S HA 0.779 5.250 4.470 0.001 0.000 0.301 98 S C 0.167 174.777 174.600 0.017 0.000 1.096 98 S CA -0.605 57.587 58.200 -0.013 0.000 1.063 98 S CB 1.197 64.431 63.200 0.057 0.000 1.042 98 S HN 0.790 nan 8.310 nan 0.000 0.494 99 G N 1.822 110.678 108.800 0.093 0.000 2.594 99 G HA2 0.580 4.541 3.960 0.001 0.000 0.243 99 G HA3 0.580 4.541 3.960 0.001 0.000 0.243 99 G C -0.190 174.758 174.900 0.080 0.000 1.229 99 G CA 0.105 45.279 45.100 0.123 0.000 0.843 99 G HN 1.118 nan 8.290 nan 0.000 0.578 100 A N 1.881 124.673 122.820 -0.046 0.000 2.564 100 A HA 0.912 5.232 4.320 0.001 0.000 0.288 100 A C -2.879 174.429 177.584 -0.461 0.000 1.164 100 A CA -1.434 50.367 52.037 -0.392 0.000 0.712 100 A CB 1.271 20.154 19.000 -0.196 0.000 1.303 100 A HN 0.511 nan 8.150 nan 0.000 0.418 101 P HA -0.001 nan 4.420 nan 0.000 0.268 101 P C -0.306 176.943 177.300 -0.086 0.000 1.208 101 P CA -0.252 62.572 63.100 -0.460 0.000 0.777 101 P CB 0.308 31.480 31.700 -0.879 0.000 0.875 102 N N 3.004 121.722 118.700 0.031 0.000 2.292 102 N HA -0.128 4.613 4.740 0.001 0.000 0.258 102 N C 1.052 176.612 175.510 0.083 0.000 1.261 102 N CA 0.247 53.334 53.050 0.063 0.000 0.845 102 N CB 0.266 38.788 38.487 0.060 0.000 1.064 102 N HN 0.378 nan 8.380 nan 0.000 0.471 103 N N 3.742 122.527 118.700 0.143 0.000 2.520 103 N HA -0.135 4.606 4.740 0.001 0.000 0.185 103 N C 0.397 176.017 175.510 0.184 0.000 1.068 103 N CA 0.883 54.070 53.050 0.228 0.000 0.911 103 N CB -0.280 38.300 38.487 0.155 0.000 0.961 103 N HN 0.469 nan 8.380 nan 0.000 0.446 104 N N 0.661 119.428 118.700 0.112 0.000 2.459 104 N HA -0.066 4.674 4.740 0.001 0.000 0.181 104 N C 0.105 175.663 175.510 0.080 0.000 1.046 104 N CA 0.663 53.767 53.050 0.090 0.000 0.904 104 N CB 0.012 38.553 38.487 0.089 0.000 0.964 104 N HN 0.377 nan 8.380 nan 0.000 0.444 105 D N -0.211 120.222 120.400 0.054 0.000 2.349 105 D HA -0.007 4.633 4.640 0.001 0.000 0.215 105 D C 0.358 176.586 176.300 -0.120 0.000 1.016 105 D CA 0.318 54.324 54.000 0.009 0.000 0.870 105 D CB 0.145 40.935 40.800 -0.018 0.000 0.917 105 D HN 0.333 nan 8.370 nan 0.000 0.524 106 H N 0.615 119.660 119.070 -0.042 0.000 2.732 106 H HA 0.259 4.816 4.556 0.001 0.000 0.351 106 H C 1.036 176.317 175.328 -0.078 0.000 1.090 106 H CA 0.211 56.234 56.048 -0.040 0.000 1.431 106 H CB 1.038 30.707 29.762 -0.156 0.000 1.447 106 H HN -0.032 nan 8.280 nan 0.000 0.582 107 A N 2.008 124.855 122.820 0.045 0.000 2.596 107 A HA -0.209 4.111 4.320 0.001 0.000 0.300 107 A C 1.250 178.784 177.584 -0.084 0.000 1.495 107 A CA 1.164 53.190 52.037 -0.019 0.000 0.769 107 A CB -1.773 17.217 19.000 -0.016 0.000 1.047 107 A HN 0.875 nan 8.150 nan 0.000 0.436 108 A N -1.155 121.561 122.820 -0.174 0.000 2.498 108 A HA 0.589 4.910 4.320 0.001 0.000 0.238 108 A C 2.070 179.440 177.584 -0.357 0.000 1.225 108 A CA 1.240 53.061 52.037 -0.360 0.000 0.978 108 A CB -0.226 18.345 19.000 -0.715 0.000 1.142 108 A HN 2.620 nan 8.150 nan 0.000 0.552 109 G N 0.290 108.988 108.800 -0.169 0.000 2.225 109 G HA2 -0.246 3.715 3.960 0.001 0.000 0.264 109 G HA3 -0.246 3.715 3.960 0.001 0.000 0.264 109 G C -0.243 174.727 174.900 0.118 0.000 1.060 109 G CA 0.482 45.568 45.100 -0.024 0.000 0.833 109 G HN 0.827 nan 8.290 nan 0.000 0.498 110 H N -1.171 117.952 119.070 0.088 0.000 2.467 110 H HA 0.477 5.033 4.556 0.001 0.000 0.326 110 H C 0.163 175.595 175.328 0.174 0.000 1.094 110 H CA -1.221 54.892 56.048 0.108 0.000 1.253 110 H CB 1.951 31.769 29.762 0.093 0.000 1.439 110 H HN 0.119 nan 8.280 nan 0.000 0.479 111 V N 5.740 125.813 119.914 0.265 0.000 2.498 111 V HA 0.147 4.268 4.120 0.001 0.000 0.279 111 V C 0.142 176.386 176.094 0.249 0.000 1.048 111 V CA -0.290 62.153 62.300 0.239 0.000 0.967 111 V CB 0.764 32.676 31.823 0.149 0.000 0.988 111 V HN 0.521 nan 8.190 nan 0.000 0.473 112 L N 4.645 126.059 121.223 0.318 0.000 2.354 112 L HA 0.554 4.895 4.340 0.001 0.000 0.269 112 L C 0.273 177.281 176.870 0.229 0.000 1.005 112 L CA -1.003 53.976 54.840 0.232 0.000 0.819 112 L CB 1.819 43.928 42.059 0.084 0.000 1.311 112 L HN 0.792 nan 8.230 nan 0.000 0.423 113 H N 1.622 120.764 119.070 0.120 0.000 2.998 113 H HA -0.054 4.502 4.556 0.001 0.000 0.353 113 H C 0.003 175.463 175.328 0.220 0.000 1.099 113 H CA 0.469 56.550 56.048 0.055 0.000 1.393 113 H CB 0.348 30.004 29.762 -0.177 0.000 1.343 113 H HN 0.757 nan 8.280 nan 0.000 0.609 114 H N -1.561 117.641 119.070 0.219 0.000 3.641 114 H HA -0.185 4.371 4.556 0.001 0.000 0.193 114 H C 0.466 175.938 175.328 0.239 0.000 1.013 114 H CA 0.997 57.168 56.048 0.204 0.000 1.212 114 H CB -1.770 28.133 29.762 0.235 0.000 1.089 114 H HN 0.926 nan 8.280 nan 0.000 0.339 115 A N 0.091 123.151 122.820 0.401 0.000 2.352 115 A HA 0.674 4.995 4.320 0.001 0.000 0.299 115 A C 1.553 179.291 177.584 0.257 0.000 1.160 115 A CA -0.118 52.198 52.037 0.466 0.000 0.933 115 A CB 0.480 19.901 19.000 0.701 0.000 1.387 115 A HN 0.107 nan 8.150 nan 0.000 0.487 116 L N -0.263 121.043 121.223 0.139 0.000 2.376 116 L HA 0.151 4.492 4.340 0.001 0.000 0.219 116 L C 1.756 178.637 176.870 0.018 0.000 1.133 116 L CA 1.224 56.046 54.840 -0.031 0.000 0.816 116 L CB -0.307 41.599 42.059 -0.254 0.000 0.933 116 L HN 1.188 nan 8.230 nan 0.000 0.449 117 G N -0.356 108.488 108.800 0.074 0.000 2.179 117 G HA2 -0.226 3.734 3.960 0.001 0.000 0.220 117 G HA3 -0.226 3.734 3.960 0.001 0.000 0.220 117 G C 0.312 175.230 174.900 0.030 0.000 0.990 117 G CA -0.103 45.037 45.100 0.067 0.000 0.646 117 G HN 0.321 nan 8.290 nan 0.000 0.517 118 K N -0.125 120.266 120.400 -0.015 0.000 2.362 118 K HA 0.612 4.932 4.320 0.001 0.000 0.245 118 K C 1.579 178.123 176.600 -0.094 0.000 1.040 118 K CA 0.131 56.388 56.287 -0.050 0.000 0.961 118 K CB 0.397 32.849 32.500 -0.080 0.000 1.252 118 K HN 0.213 nan 8.250 nan 0.000 0.503 119 T N -2.468 112.012 114.554 -0.123 0.000 3.145 119 T HA 0.041 4.391 4.350 0.001 0.000 0.255 119 T C -0.214 174.251 174.700 -0.392 0.000 1.039 119 T CA -0.425 61.582 62.100 -0.154 0.000 0.928 119 T CB -0.439 68.417 68.868 -0.020 0.000 1.029 119 T HN 0.601 nan 8.240 nan 0.000 0.554 120 D N 0.116 120.211 120.400 -0.508 0.000 2.481 120 D HA 0.165 4.806 4.640 0.001 0.000 0.244 120 D C -1.018 174.962 176.300 -0.534 0.000 1.057 120 D CA -0.970 52.759 54.000 -0.451 0.000 0.848 120 D CB 1.422 42.170 40.800 -0.086 0.000 1.388 120 D HN 0.210 nan 8.370 nan 0.000 0.475 121 Y N 0.356 120.782 120.300 0.210 0.000 2.696 121 Y HA 0.165 4.715 4.550 0.001 0.000 0.260 121 Y C 1.319 177.331 175.900 0.187 0.000 1.165 121 Y CA -0.480 57.735 58.100 0.192 0.000 1.189 121 Y CB 0.022 38.452 38.460 -0.050 0.000 1.180 121 Y HN 0.602 nan 8.280 nan 0.000 0.538 122 H N -0.969 118.232 119.070 0.217 0.000 2.551 122 H HA -0.055 4.501 4.556 0.001 0.000 0.266 122 H C 1.812 177.215 175.328 0.125 0.000 0.964 122 H CA 0.903 57.066 56.048 0.190 0.000 1.180 122 H CB 0.160 30.022 29.762 0.166 0.000 1.408 122 H HN 0.481 nan 8.280 nan 0.000 0.563 123 Y N -0.713 119.725 120.300 0.230 0.000 2.242 123 Y HA -0.162 4.388 4.550 0.001 0.000 0.291 123 Y C 2.364 178.319 175.900 0.092 0.000 1.137 123 Y CA 1.221 59.406 58.100 0.141 0.000 1.181 123 Y CB -0.700 37.820 38.460 0.100 0.000 0.989 123 Y HN 0.236 nan 8.280 nan 0.000 0.527 124 Q N 0.539 120.030 119.800 -0.515 0.000 2.084 124 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 124 Q C 2.223 178.143 176.000 -0.133 0.000 0.978 124 Q CA 1.822 57.478 55.803 -0.244 0.000 0.844 124 Q CB -0.239 28.242 28.738 -0.428 0.000 0.898 124 Q HN 0.584 nan 8.270 nan 0.000 0.426 125 L N 1.259 122.381 121.223 -0.168 0.000 1.989 125 L HA -0.208 4.133 4.340 0.001 0.000 0.211 125 L C 1.846 178.557 176.870 -0.266 0.000 1.071 125 L CA 2.122 56.806 54.840 -0.261 0.000 0.749 125 L CB -0.547 41.376 42.059 -0.226 0.000 0.890 125 L HN 0.260 nan 8.230 nan 0.000 0.431 126 E N -0.834 119.286 120.200 -0.134 0.000 2.097 126 E HA -0.293 4.057 4.350 0.001 0.000 0.196 126 E C 2.148 178.684 176.600 -0.107 0.000 1.000 126 E CA 1.990 58.368 56.400 -0.037 0.000 0.804 126 E CB -0.320 29.445 29.700 0.109 0.000 0.740 126 E HN 0.573 nan 8.360 nan 0.000 0.454 127 M N 0.320 119.858 119.600 -0.104 0.000 2.132 127 M HA -0.129 4.352 4.480 0.001 0.000 0.263 127 M C 2.523 178.503 176.300 -0.534 0.000 1.065 127 M CA 1.406 56.597 55.300 -0.181 0.000 1.122 127 M CB -0.226 32.401 32.600 0.045 0.000 1.365 127 M HN 0.130 nan 8.290 nan 0.000 0.411 128 A N 0.554 122.906 122.820 -0.780 0.000 1.978 128 A HA -0.182 4.138 4.320 0.001 0.000 0.220 128 A C 2.065 179.312 177.584 -0.562 0.000 1.170 128 A CA 1.676 53.085 52.037 -1.046 0.000 0.636 128 A CB -0.587 17.602 19.000 -1.352 0.000 0.810 128 A HN 0.446 nan 8.150 nan 0.000 0.448 129 K N -0.054 120.126 120.400 -0.366 0.000 2.280 129 K HA -0.095 4.226 4.320 0.001 0.000 0.202 129 K C 1.290 177.765 176.600 -0.209 0.000 1.047 129 K CA 1.109 57.272 56.287 -0.207 0.000 0.942 129 K CB -0.182 32.248 32.500 -0.117 0.000 0.739 129 K HN 0.476 nan 8.250 nan 0.000 0.457 130 N N 1.130 119.676 118.700 -0.257 0.000 2.396 130 N HA -0.074 4.666 4.740 0.001 0.000 0.180 130 N C 1.444 176.763 175.510 -0.319 0.000 1.028 130 N CA 1.057 53.967 53.050 -0.234 0.000 0.893 130 N CB 0.260 38.631 38.487 -0.192 0.000 0.967 130 N HN 0.397 nan 8.380 nan 0.000 0.440 131 I N -2.510 117.836 120.570 -0.372 0.000 3.966 131 I HA 0.265 4.435 4.170 0.001 0.000 0.324 131 I C -0.323 175.614 176.117 -0.300 0.000 1.517 131 I CA -0.434 60.608 61.300 -0.430 0.000 1.117 131 I CB 0.520 38.310 38.000 -0.349 0.000 1.190 131 I HN -0.232 nan 8.210 nan 0.000 0.466 132 T N -2.858 111.591 114.554 -0.175 0.000 2.901 132 T HA 0.742 5.092 4.350 0.001 0.000 0.293 132 T C 0.598 175.395 174.700 0.161 0.000 1.084 132 T CA -0.093 62.048 62.100 0.069 0.000 1.008 132 T CB 2.401 71.279 68.868 0.018 0.000 1.170 132 T HN 0.014 nan 8.240 nan 0.000 0.509 133 A N 0.202 123.135 122.820 0.188 0.000 2.178 133 A HA 0.757 5.077 4.320 0.001 0.000 0.211 133 A C 1.054 178.669 177.584 0.052 0.000 1.157 133 A CA 0.528 52.641 52.037 0.126 0.000 0.780 133 A CB -0.568 18.454 19.000 0.037 0.000 0.828 133 A HN 1.658 nan 8.150 nan 0.000 0.476 134 A N -1.478 121.368 122.820 0.044 0.000 2.577 134 A HA 0.700 5.020 4.320 0.001 0.000 0.297 134 A C -0.833 176.806 177.584 0.092 0.000 1.060 134 A CA 0.185 52.256 52.037 0.056 0.000 0.697 134 A CB 0.473 19.445 19.000 -0.047 0.000 1.281 134 A HN 1.616 nan 8.150 nan 0.000 0.402 135 A N 1.733 124.630 122.820 0.128 0.000 2.437 135 A HA 0.791 5.111 4.320 0.001 0.000 0.293 135 A C -1.254 176.438 177.584 0.180 0.000 1.038 135 A CA -0.386 51.774 52.037 0.205 0.000 0.708 135 A CB 1.308 20.383 19.000 0.125 0.000 1.251 135 A HN 0.647 nan 8.150 nan 0.000 0.409 136 E N 0.741 121.039 120.200 0.164 0.000 2.292 136 E HA 0.634 4.984 4.350 0.001 0.000 0.272 136 E C -0.762 175.809 176.600 -0.048 0.000 0.881 136 E CA -0.563 55.863 56.400 0.044 0.000 0.754 136 E CB 2.392 32.102 29.700 0.016 0.000 1.201 136 E HN 0.896 nan 8.360 nan 0.000 0.425 137 A N 3.457 126.191 122.820 -0.144 0.000 2.305 137 A HA 0.699 5.020 4.320 0.001 0.000 0.322 137 A C -0.243 176.972 177.584 -0.615 0.000 1.187 137 A CA -0.605 51.208 52.037 -0.373 0.000 0.825 137 A CB 0.352 19.098 19.000 -0.424 0.000 1.164 137 A HN 0.554 nan 8.150 nan 0.000 0.498 138 I N 2.739 122.971 120.570 -0.564 0.000 2.354 138 I HA 0.259 4.430 4.170 0.001 0.000 0.286 138 I C -0.532 175.330 176.117 -0.425 0.000 1.007 138 I CA -0.148 60.890 61.300 -0.437 0.000 1.167 138 I CB 1.042 38.901 38.000 -0.234 0.000 1.320 138 I HN 0.809 nan 8.210 nan 0.000 0.458 139 Y N 3.004 123.254 120.300 -0.084 0.000 2.507 139 Y HA 0.108 4.659 4.550 0.001 0.000 0.263 139 Y C 1.422 177.282 175.900 -0.066 0.000 1.093 139 Y CA -0.282 57.757 58.100 -0.101 0.000 1.285 139 Y CB 0.270 38.617 38.460 -0.188 0.000 1.115 139 Y HN 0.508 nan 8.280 nan 0.000 0.533 140 T N -3.604 110.983 114.554 0.055 0.000 2.906 140 T HA 0.366 4.716 4.350 0.001 0.000 0.295 140 T C -2.427 172.260 174.700 -0.022 0.000 1.061 140 T CA -2.437 59.677 62.100 0.023 0.000 1.000 140 T CB 2.638 71.520 68.868 0.024 0.000 1.103 140 T HN -0.342 nan 8.240 nan 0.000 0.486 141 P HA 0.001 nan 4.420 nan 0.000 0.217 141 P C 1.067 178.325 177.300 -0.070 0.000 1.150 141 P CA 0.936 64.011 63.100 -0.042 0.000 0.832 141 P CB 0.087 31.775 31.700 -0.019 0.000 0.787 142 E N -0.005 120.164 120.200 -0.052 0.000 2.204 142 E HA -0.178 4.172 4.350 0.001 0.000 0.195 142 E C 1.784 178.330 176.600 -0.090 0.000 0.990 142 E CA 1.085 57.447 56.400 -0.063 0.000 0.821 142 E CB -0.686 28.991 29.700 -0.037 0.000 0.750 142 E HN 0.458 nan 8.360 nan 0.000 0.477 143 E N -0.076 120.072 120.200 -0.087 0.000 2.299 143 E HA 0.018 4.369 4.350 0.001 0.000 0.193 143 E C 1.942 178.453 176.600 -0.148 0.000 0.998 143 E CA 0.460 56.800 56.400 -0.101 0.000 0.851 143 E CB 0.019 29.669 29.700 -0.082 0.000 0.795 143 E HN 0.264 nan 8.360 nan 0.000 0.492 144 A N 2.323 125.035 122.820 -0.179 0.000 1.865 144 A HA -0.145 4.175 4.320 0.001 0.000 0.217 144 A C -0.296 177.077 177.584 -0.351 0.000 1.191 144 A CA 1.358 53.256 52.037 -0.233 0.000 0.623 144 A CB -1.476 17.390 19.000 -0.223 0.000 0.826 144 A HN 0.128 nan 8.150 nan 0.000 0.444 145 P HA -0.144 nan 4.420 nan 0.000 0.215 145 P C 1.805 178.946 177.300 -0.266 0.000 1.157 145 P CA 2.104 64.738 63.100 -0.776 0.000 0.868 145 P CB -0.167 31.131 31.700 -0.670 0.000 0.788 146 A N -0.284 122.439 122.820 -0.162 0.000 1.902 146 A HA -0.230 4.091 4.320 0.001 0.000 0.217 146 A C 2.112 179.683 177.584 -0.022 0.000 1.181 146 A CA 1.941 53.940 52.037 -0.064 0.000 0.623 146 A CB -1.104 17.856 19.000 -0.067 0.000 0.818 146 A HN 0.136 nan 8.150 nan 0.000 0.443 147 K N -0.560 119.804 120.400 -0.059 0.000 2.103 147 K HA 0.058 4.378 4.320 0.001 0.000 0.204 147 K C 1.781 178.389 176.600 0.014 0.000 1.052 147 K CA 1.229 57.507 56.287 -0.015 0.000 0.945 147 K CB -0.290 32.168 32.500 -0.070 0.000 0.722 147 K HN 0.516 nan 8.250 nan 0.000 0.443 148 I N 1.515 122.071 120.570 -0.024 0.000 2.179 148 I HA -0.306 3.865 4.170 0.001 0.000 0.242 148 I C 1.629 177.780 176.117 0.057 0.000 1.088 148 I CA 1.298 62.612 61.300 0.024 0.000 1.357 148 I CB -0.265 37.787 38.000 0.086 0.000 1.051 148 I HN 0.154 nan 8.210 nan 0.000 0.409 149 D N -0.422 120.034 120.400 0.093 0.000 2.117 149 D HA -0.242 4.399 4.640 0.001 0.000 0.197 149 D C 1.975 178.299 176.300 0.039 0.000 0.987 149 D CA 1.503 55.546 54.000 0.071 0.000 0.829 149 D CB -0.476 40.380 40.800 0.093 0.000 0.961 149 D HN 0.442 nan 8.370 nan 0.000 0.460 150 H N 0.780 119.837 119.070 -0.022 0.000 2.321 150 H HA -0.107 4.449 4.556 0.001 0.000 0.300 150 H C 1.991 177.300 175.328 -0.031 0.000 1.087 150 H CA 2.569 58.601 56.048 -0.027 0.000 1.319 150 H CB -0.246 29.500 29.762 -0.026 0.000 1.379 150 H HN 0.062 nan 8.280 nan 0.000 0.501 151 V N -1.072 118.741 119.914 -0.167 0.000 2.453 151 V HA -0.108 4.012 4.120 0.001 0.000 0.247 151 V C 2.409 178.398 176.094 -0.176 0.000 1.048 151 V CA 1.816 63.991 62.300 -0.209 0.000 1.049 151 V CB -0.730 31.057 31.823 -0.060 0.000 0.672 151 V HN 0.460 nan 8.190 nan 0.000 0.457 152 I N -0.027 120.466 120.570 -0.129 0.000 2.252 152 I HA -0.152 4.018 4.170 0.001 0.000 0.245 152 I C 2.856 178.860 176.117 -0.189 0.000 1.102 152 I CA 1.748 62.965 61.300 -0.139 0.000 1.385 152 I CB -0.417 37.513 38.000 -0.116 0.000 1.064 152 I HN 0.255 nan 8.210 nan 0.000 0.414 153 K N 0.284 120.574 120.400 -0.184 0.000 2.063 153 K HA -0.154 4.166 4.320 0.001 0.000 0.208 153 K C 2.108 178.595 176.600 -0.189 0.000 1.048 153 K CA 1.908 58.083 56.287 -0.186 0.000 0.928 153 K CB -0.279 32.148 32.500 -0.122 0.000 0.713 153 K HN 0.314 nan 8.250 nan 0.000 0.442 154 T N 1.002 115.413 114.554 -0.239 0.000 2.777 154 T HA -0.127 4.224 4.350 0.001 0.000 0.266 154 T C 1.968 176.570 174.700 -0.163 0.000 1.040 154 T CA 1.301 63.269 62.100 -0.220 0.000 1.141 154 T CB -0.236 68.439 68.868 -0.322 0.000 0.868 154 T HN 0.322 nan 8.240 nan 0.000 0.444 155 A N 1.448 124.174 122.820 -0.156 0.000 1.883 155 A HA -0.048 4.273 4.320 0.001 0.000 0.217 155 A C 2.307 179.817 177.584 -0.123 0.000 1.186 155 A CA 1.379 53.343 52.037 -0.122 0.000 0.624 155 A CB -0.928 18.013 19.000 -0.098 0.000 0.822 155 A HN 0.483 nan 8.150 nan 0.000 0.444 156 L N -1.337 119.795 121.223 -0.151 0.000 2.093 156 L HA -0.146 4.194 4.340 0.001 0.000 0.208 156 L C 2.815 179.622 176.870 -0.104 0.000 1.085 156 L CA 1.693 56.445 54.840 -0.147 0.000 0.755 156 L CB -0.469 41.422 42.059 -0.281 0.000 0.904 156 L HN 0.494 nan 8.230 nan 0.000 0.435 157 R N 0.358 120.791 120.500 -0.110 0.000 2.062 157 R HA -0.116 4.225 4.340 0.001 0.000 0.229 157 R C 1.971 178.211 176.300 -0.100 0.000 1.128 157 R CA 1.292 57.341 56.100 -0.084 0.000 0.960 157 R CB 0.073 30.329 30.300 -0.073 0.000 0.855 157 R HN 0.358 nan 8.270 nan 0.000 0.432 158 E N 0.666 120.798 120.200 -0.113 0.000 2.385 158 E HA -0.025 4.326 4.350 0.001 0.000 0.194 158 E C -0.179 176.329 176.600 -0.153 0.000 1.013 158 E CA 0.081 56.404 56.400 -0.129 0.000 0.866 158 E CB 0.376 30.000 29.700 -0.128 0.000 0.832 158 E HN 0.155 nan 8.360 nan 0.000 0.500 159 K N 1.224 121.542 120.400 -0.137 0.000 3.239 159 K HA -0.118 4.203 4.320 0.001 0.000 0.270 159 K C -0.411 176.072 176.600 -0.196 0.000 1.049 159 K CA 0.732 56.938 56.287 -0.136 0.000 0.769 159 K CB -1.173 31.253 32.500 -0.123 0.000 1.305 159 K HN 0.088 nan 8.250 nan 0.000 0.469 160 K N -0.372 119.906 120.400 -0.203 0.000 2.482 160 K HA 0.515 4.836 4.320 0.001 0.000 0.257 160 K C -2.563 173.962 176.600 -0.125 0.000 0.969 160 K CA -1.953 54.166 56.287 -0.280 0.000 0.842 160 K CB 2.287 34.540 32.500 -0.411 0.000 1.359 160 K HN -0.129 nan 8.250 nan 0.000 0.441 161 P HA 0.228 nan 4.420 nan 0.000 0.276 161 P C -0.338 176.986 177.300 0.039 0.000 1.252 161 P CA -0.443 62.662 63.100 0.009 0.000 0.802 161 P CB 0.890 32.611 31.700 0.036 0.000 1.035 162 V N -1.400 118.539 119.914 0.042 0.000 3.141 162 V HA 0.651 4.772 4.120 0.001 0.000 0.312 162 V C -1.458 174.716 176.094 0.133 0.000 1.157 162 V CA -1.117 61.220 62.300 0.062 0.000 1.041 162 V CB 2.026 33.849 31.823 0.001 0.000 1.071 162 V HN 0.573 nan 8.190 nan 0.000 0.441 163 Y N 1.018 121.315 120.300 -0.004 0.000 2.425 163 Y HA 0.836 5.387 4.550 0.001 0.000 0.344 163 Y C -1.384 174.520 175.900 0.006 0.000 0.969 163 Y CA -0.940 57.171 58.100 0.018 0.000 1.052 163 Y CB 1.888 40.360 38.460 0.019 0.000 1.215 163 Y HN 0.829 nan 8.280 nan 0.000 0.451 164 L N 6.048 126.918 121.223 -0.589 0.000 2.381 164 L HA 0.528 4.868 4.340 0.001 0.000 0.268 164 L C -1.230 175.137 176.870 -0.838 0.000 0.997 164 L CA -0.853 53.653 54.840 -0.557 0.000 0.818 164 L CB 2.405 44.305 42.059 -0.265 0.000 1.310 164 L HN 0.763 nan 8.230 nan 0.000 0.416 165 E N 3.314 123.164 120.200 -0.583 0.000 2.288 165 E HA 0.723 5.074 4.350 0.001 0.000 0.268 165 E C -1.405 175.071 176.600 -0.207 0.000 0.885 165 E CA -0.804 55.398 56.400 -0.331 0.000 0.767 165 E CB 2.825 32.450 29.700 -0.126 0.000 1.220 165 E HN 0.442 nan 8.360 nan 0.000 0.427 166 I N 1.899 122.397 120.570 -0.120 0.000 2.478 166 I HA 0.398 4.568 4.170 0.001 0.000 0.287 166 I C -0.170 175.932 176.117 -0.025 0.000 1.042 166 I CA -1.116 60.132 61.300 -0.088 0.000 1.067 166 I CB 1.978 39.938 38.000 -0.066 0.000 1.233 166 I HN 0.791 nan 8.210 nan 0.000 0.431 167 A N 4.300 127.123 122.820 0.004 0.000 2.567 167 A HA 0.005 4.326 4.320 0.001 0.000 0.240 167 A C 1.453 179.075 177.584 0.062 0.000 1.053 167 A CA 0.041 52.117 52.037 0.066 0.000 0.755 167 A CB -0.019 19.060 19.000 0.131 0.000 0.978 167 A HN 1.127 nan 8.150 nan 0.000 0.507 168 C N 1.920 121.276 119.300 0.093 0.000 2.419 168 C HA -0.085 4.376 4.460 0.001 0.000 0.283 168 C C 1.664 176.698 174.990 0.075 0.000 1.373 168 C CA 0.845 59.931 59.018 0.112 0.000 1.781 168 C CB -1.351 26.505 27.740 0.193 0.000 1.886 168 C HN 0.900 nan 8.230 nan 0.000 0.520 169 N N 2.246 120.987 118.700 0.068 0.000 2.336 169 N HA 0.037 4.778 4.740 0.001 0.000 0.189 169 N C 1.106 176.641 175.510 0.040 0.000 1.113 169 N CA 0.785 53.865 53.050 0.050 0.000 0.858 169 N CB -0.701 37.816 38.487 0.049 0.000 0.970 169 N HN 0.850 nan 8.380 nan 0.000 0.471 170 I N -4.632 115.961 120.570 0.038 0.000 4.082 170 I HA 0.476 4.647 4.170 0.001 0.000 0.337 170 I C 1.627 177.756 176.117 0.020 0.000 1.352 170 I CA -0.353 60.963 61.300 0.026 0.000 1.097 170 I CB 0.226 38.238 38.000 0.020 0.000 1.048 170 I HN -0.056 nan 8.210 nan 0.000 0.393 171 A N 1.220 124.055 122.820 0.025 0.000 2.024 171 A HA -0.104 4.217 4.320 0.001 0.000 0.220 171 A C 2.267 179.868 177.584 0.028 0.000 1.164 171 A CA 2.096 54.148 52.037 0.025 0.000 0.643 171 A CB -0.558 18.461 19.000 0.031 0.000 0.806 171 A HN 0.494 nan 8.150 nan 0.000 0.451 172 S N -0.881 114.834 115.700 0.026 0.000 2.540 172 S HA 0.318 4.789 4.470 0.001 0.000 0.218 172 S C 0.587 175.201 174.600 0.024 0.000 0.977 172 S CA -0.261 57.954 58.200 0.025 0.000 0.918 172 S CB -0.170 63.042 63.200 0.019 0.000 0.806 172 S HN 0.520 nan 8.310 nan 0.000 0.496 173 M N 2.642 122.257 119.600 0.023 0.000 2.250 173 M HA 0.280 4.761 4.480 0.001 0.000 0.344 173 M C -2.586 173.730 176.300 0.028 0.000 1.150 173 M CA -1.916 53.397 55.300 0.021 0.000 1.147 173 M CB 0.158 32.767 32.600 0.016 0.000 1.498 173 M HN -0.184 nan 8.290 nan 0.000 0.461 174 P HA 0.184 nan 4.420 nan 0.000 0.275 174 P C -1.087 176.234 177.300 0.036 0.000 1.228 174 P CA -0.521 62.606 63.100 0.044 0.000 0.786 174 P CB 0.496 32.217 31.700 0.036 0.000 0.927 175 C N -0.284 119.052 119.300 0.060 0.000 3.336 175 C HA 0.887 5.347 4.460 0.001 0.000 0.339 175 C C 0.231 175.264 174.990 0.071 0.000 1.468 175 C CA -1.097 57.932 59.018 0.018 0.000 1.287 175 C CB 0.968 28.669 27.740 -0.065 0.000 1.682 175 C HN 0.660 nan 8.230 nan 0.000 0.451 176 A N 0.573 123.408 122.820 0.025 0.000 2.409 176 A HA 0.597 4.917 4.320 0.001 0.000 0.246 176 A C 0.527 178.217 177.584 0.176 0.000 1.099 176 A CA 0.532 52.615 52.037 0.076 0.000 0.789 176 A CB -0.525 18.495 19.000 0.033 0.000 1.053 176 A HN 2.404 nan 8.150 nan 0.000 0.503 177 A N 0.651 123.549 122.820 0.129 0.000 2.282 177 A HA 0.728 5.048 4.320 0.001 0.000 0.319 177 A C -2.553 174.953 177.584 -0.129 0.000 1.121 177 A CA -1.700 50.288 52.037 -0.082 0.000 0.836 177 A CB -0.044 18.968 19.000 0.019 0.000 1.146 177 A HN 0.629 nan 8.150 nan 0.000 0.494 178 P HA 0.333 nan 4.420 nan 0.000 0.276 178 P C 0.522 177.673 177.300 -0.249 0.000 1.230 178 P CA 0.163 62.956 63.100 -0.511 0.000 0.776 178 P CB 0.915 32.077 31.700 -0.897 0.000 0.888 179 G N 3.586 112.312 108.800 -0.123 0.000 2.516 179 G HA2 0.342 4.303 3.960 0.001 0.000 0.276 179 G HA3 0.342 4.303 3.960 0.001 0.000 0.276 179 G C -2.340 172.516 174.900 -0.073 0.000 1.390 179 G CA -1.112 43.947 45.100 -0.069 0.000 1.050 179 G HN 0.338 nan 8.290 nan 0.000 0.519 180 P HA 0.227 nan 4.420 nan 0.000 0.265 180 P C 0.642 177.942 177.300 -0.000 0.000 1.193 180 P CA 0.417 63.508 63.100 -0.016 0.000 0.765 180 P CB 1.050 32.751 31.700 0.000 0.000 0.823 181 A N 3.104 125.935 122.820 0.018 0.000 1.986 181 A HA -0.218 4.103 4.320 0.001 0.000 0.220 181 A C 2.108 179.797 177.584 0.176 0.000 1.171 181 A CA 2.247 54.334 52.037 0.083 0.000 0.640 181 A CB -1.598 17.466 19.000 0.108 0.000 0.811 181 A HN 0.622 nan 8.150 nan 0.000 0.451 182 S N 0.064 115.836 115.700 0.120 0.000 2.419 182 S HA 0.029 4.500 4.470 0.001 0.000 0.233 182 S C 1.956 176.646 174.600 0.150 0.000 1.016 182 S CA 1.160 59.447 58.200 0.145 0.000 0.974 182 S CB -0.637 62.597 63.200 0.057 0.000 0.786 182 S HN 0.936 nan 8.310 nan 0.000 0.492 183 A N 1.862 124.733 122.820 0.084 0.000 2.019 183 A HA 0.159 4.480 4.320 0.001 0.000 0.219 183 A C 2.193 179.794 177.584 0.027 0.000 1.164 183 A CA 1.174 53.240 52.037 0.048 0.000 0.644 183 A CB -0.732 18.281 19.000 0.021 0.000 0.805 183 A HN 0.577 nan 8.150 nan 0.000 0.449 184 L N -2.501 118.725 121.223 0.005 0.000 2.240 184 L HA -0.013 4.328 4.340 0.001 0.000 0.211 184 L C 1.740 178.432 176.870 -0.297 0.000 1.106 184 L CA 0.768 55.499 54.840 -0.181 0.000 0.793 184 L CB -0.307 41.562 42.059 -0.316 0.000 0.927 184 L HN 0.398 nan 8.230 nan 0.000 0.446 185 F N -1.068 118.871 119.950 -0.018 0.000 2.749 185 F HA 0.109 4.637 4.527 0.001 0.000 0.300 185 F C 1.065 176.861 175.800 -0.008 0.000 1.103 185 F CA -0.681 57.309 58.000 -0.016 0.000 1.342 185 F CB -0.285 38.704 39.000 -0.017 0.000 1.098 185 F HN -0.016 nan 8.300 nan 0.000 0.586 186 N N 1.902 120.683 118.700 0.136 0.000 2.374 186 N HA -0.022 4.719 4.740 0.001 0.000 0.269 186 N C -0.889 174.659 175.510 0.063 0.000 1.310 186 N CA 0.606 53.708 53.050 0.086 0.000 0.877 186 N CB 0.068 38.589 38.487 0.057 0.000 1.096 186 N HN 0.075 nan 8.380 nan 0.000 0.484 187 D N 0.610 121.054 120.400 0.074 0.000 2.581 187 D HA 0.171 4.812 4.640 0.001 0.000 0.232 187 D C -0.973 175.380 176.300 0.088 0.000 1.143 187 D CA -0.641 53.406 54.000 0.078 0.000 0.881 187 D CB 1.064 41.922 40.800 0.096 0.000 1.500 187 D HN 0.597 nan 8.370 nan 0.000 0.458 188 E N 0.674 120.937 120.200 0.104 0.000 2.404 188 E HA 0.489 4.840 4.350 0.001 0.000 0.261 188 E C -0.716 175.914 176.600 0.049 0.000 1.074 188 E CA -0.779 55.666 56.400 0.076 0.000 0.917 188 E CB 1.020 30.766 29.700 0.077 0.000 0.965 188 E HN 0.341 nan 8.360 nan 0.000 0.433 189 A N 2.649 125.427 122.820 -0.071 0.000 2.252 189 A HA 0.367 4.688 4.320 0.001 0.000 0.305 189 A C -0.055 177.290 177.584 -0.399 0.000 1.097 189 A CA -0.698 51.208 52.037 -0.218 0.000 0.849 189 A CB 0.903 19.833 19.000 -0.118 0.000 1.142 189 A HN 0.663 nan 8.150 nan 0.000 0.499 190 S N 0.243 115.622 115.700 -0.534 0.000 2.563 190 S HA 0.113 4.584 4.470 0.001 0.000 0.284 190 S C 0.021 174.522 174.600 -0.164 0.000 1.331 190 S CA 0.099 58.070 58.200 -0.383 0.000 1.047 190 S CB 0.240 63.294 63.200 -0.245 0.000 0.859 190 S HN 0.736 nan 8.310 nan 0.000 0.514 191 D N 0.912 121.262 120.400 -0.084 0.000 2.371 191 D HA 0.102 4.743 4.640 0.001 0.000 0.256 191 D C 1.000 177.282 176.300 -0.031 0.000 1.193 191 D CA -0.067 53.913 54.000 -0.034 0.000 0.881 191 D CB 0.699 41.502 40.800 0.006 0.000 1.143 191 D HN 0.487 nan 8.370 nan 0.000 0.473 192 E N 3.581 123.762 120.200 -0.030 0.000 2.038 192 E HA -0.214 4.137 4.350 0.001 0.000 0.195 192 E C 1.855 178.443 176.600 -0.019 0.000 1.000 192 E CA 1.866 58.248 56.400 -0.029 0.000 0.803 192 E CB -0.367 29.318 29.700 -0.024 0.000 0.750 192 E HN 0.603 nan 8.360 nan 0.000 0.448 193 A N -0.225 122.594 122.820 -0.002 0.000 1.908 193 A HA -0.217 4.104 4.320 0.001 0.000 0.218 193 A C 2.433 180.024 177.584 0.012 0.000 1.181 193 A CA 2.176 54.219 52.037 0.010 0.000 0.627 193 A CB -0.773 18.244 19.000 0.028 0.000 0.818 193 A HN 0.296 nan 8.150 nan 0.000 0.445 194 S N -0.644 115.073 115.700 0.029 0.000 2.355 194 S HA -0.103 4.368 4.470 0.001 0.000 0.222 194 S C 1.862 176.399 174.600 -0.104 0.000 1.031 194 S CA 1.241 59.469 58.200 0.046 0.000 0.993 194 S CB -0.457 62.816 63.200 0.121 0.000 0.859 194 S HN 0.513 nan 8.310 nan 0.000 0.453 195 L N 3.124 124.309 121.223 -0.064 0.000 1.990 195 L HA -0.134 4.207 4.340 0.001 0.000 0.213 195 L C 1.694 178.504 176.870 -0.100 0.000 1.072 195 L CA 1.848 56.649 54.840 -0.066 0.000 0.755 195 L CB -1.071 40.965 42.059 -0.039 0.000 0.889 195 L HN 0.161 nan 8.230 nan 0.000 0.432 196 N N 0.069 118.717 118.700 -0.087 0.000 2.120 196 N HA -0.120 4.620 4.740 0.001 0.000 0.188 196 N C 1.804 177.236 175.510 -0.129 0.000 1.024 196 N CA 1.599 54.599 53.050 -0.083 0.000 0.852 196 N CB -0.458 38.001 38.487 -0.047 0.000 1.003 196 N HN 0.555 nan 8.380 nan 0.000 0.424 197 A N 0.951 123.663 122.820 -0.179 0.000 1.930 197 A HA 0.078 4.398 4.320 0.001 0.000 0.217 197 A C 2.360 179.598 177.584 -0.576 0.000 1.175 197 A CA 1.734 53.630 52.037 -0.236 0.000 0.627 197 A CB -0.664 18.300 19.000 -0.061 0.000 0.815 197 A HN 0.311 nan 8.150 nan 0.000 0.443 198 A N -0.566 121.705 122.820 -0.915 0.000 1.898 198 A HA 0.032 4.353 4.320 0.001 0.000 0.216 198 A C 2.222 179.686 177.584 -0.200 0.000 1.181 198 A CA 1.718 53.208 52.037 -0.912 0.000 0.620 198 A CB -0.828 17.764 19.000 -0.681 0.000 0.819 198 A HN 0.348 nan 8.150 nan 0.000 0.442 199 V N 0.299 120.151 119.914 -0.104 0.000 2.307 199 V HA -0.196 3.925 4.120 0.001 0.000 0.245 199 V C 2.561 178.630 176.094 -0.041 0.000 1.045 199 V CA 2.069 64.332 62.300 -0.062 0.000 1.024 199 V CB -0.708 31.050 31.823 -0.109 0.000 0.651 199 V HN 0.508 nan 8.190 nan 0.000 0.449 200 E N -0.124 120.044 120.200 -0.053 0.000 2.110 200 E HA -0.199 4.151 4.350 0.001 0.000 0.193 200 E C 2.248 178.869 176.600 0.035 0.000 0.988 200 E CA 0.980 57.376 56.400 -0.007 0.000 0.804 200 E CB -0.277 29.420 29.700 -0.005 0.000 0.745 200 E HN 0.584 nan 8.360 nan 0.000 0.458 201 E N 0.136 120.354 120.200 0.030 0.000 2.150 201 E HA -0.078 4.272 4.350 0.001 0.000 0.193 201 E C 2.044 178.736 176.600 0.152 0.000 0.985 201 E CA 0.906 57.375 56.400 0.115 0.000 0.814 201 E CB -0.244 29.567 29.700 0.185 0.000 0.752 201 E HN 0.248 nan 8.360 nan 0.000 0.466 202 T N 1.827 116.453 114.554 0.120 0.000 2.777 202 T HA -0.052 4.299 4.350 0.001 0.000 0.266 202 T C 2.169 176.982 174.700 0.187 0.000 1.040 202 T CA 0.653 62.853 62.100 0.167 0.000 1.141 202 T CB -0.173 68.785 68.868 0.149 0.000 0.868 202 T HN 0.086 nan 8.240 nan 0.000 0.444 203 L N 0.438 121.731 121.223 0.117 0.000 2.017 203 L HA -0.121 4.219 4.340 0.001 0.000 0.208 203 L C 2.660 179.596 176.870 0.109 0.000 1.073 203 L CA 1.469 56.369 54.840 0.100 0.000 0.745 203 L CB -0.494 41.599 42.059 0.056 0.000 0.894 203 L HN 0.191 nan 8.230 nan 0.000 0.432 204 K N -0.532 119.938 120.400 0.116 0.000 2.063 204 K HA -0.222 4.098 4.320 0.001 0.000 0.208 204 K C 2.009 178.689 176.600 0.134 0.000 1.048 204 K CA 1.645 57.998 56.287 0.109 0.000 0.928 204 K CB -0.289 32.280 32.500 0.115 0.000 0.713 204 K HN 0.078 nan 8.250 nan 0.000 0.442 205 F N 1.568 121.550 119.950 0.054 0.000 2.134 205 F HA -0.097 4.430 4.527 0.001 0.000 0.299 205 F C 1.668 177.496 175.800 0.048 0.000 1.097 205 F CA 1.232 59.265 58.000 0.054 0.000 1.264 205 F CB 0.039 39.080 39.000 0.068 0.000 1.001 205 F HN -0.027 nan 8.300 nan 0.000 0.479 206 I N -2.152 118.495 120.570 0.130 0.000 3.883 206 I HA 0.345 4.516 4.170 0.001 0.000 0.326 206 I C 1.929 178.043 176.117 -0.005 0.000 1.283 206 I CA 0.614 61.938 61.300 0.040 0.000 1.161 206 I CB -0.840 37.249 38.000 0.147 0.000 1.012 206 I HN 0.046 nan 8.210 nan 0.000 0.421 207 A N 2.668 125.485 122.820 -0.006 0.000 1.884 207 A HA -0.193 4.127 4.320 0.001 0.000 0.219 207 A C 1.566 179.132 177.584 -0.030 0.000 1.197 207 A CA 1.895 53.928 52.037 -0.007 0.000 0.637 207 A CB -0.675 18.324 19.000 -0.001 0.000 0.827 207 A HN 0.676 nan 8.150 nan 0.000 0.450 208 N N -0.065 118.596 118.700 -0.065 0.000 2.610 208 N HA 0.222 4.963 4.740 0.001 0.000 0.309 208 N C -0.998 174.455 175.510 -0.095 0.000 1.536 208 N CA -0.019 52.992 53.050 -0.065 0.000 0.954 208 N CB 0.662 39.115 38.487 -0.057 0.000 1.310 208 N HN 0.378 nan 8.380 nan 0.000 0.502 209 R N 0.409 120.853 120.500 -0.094 0.000 2.521 209 R HA 0.115 4.456 4.340 0.001 0.000 0.295 209 R C -0.147 176.129 176.300 -0.039 0.000 1.183 209 R CA -0.414 55.630 56.100 -0.092 0.000 0.957 209 R CB 1.480 31.686 30.300 -0.156 0.000 1.171 209 R HN 0.018 nan 8.270 nan 0.000 0.494 210 D N 2.030 122.414 120.400 -0.026 0.000 2.213 210 D HA -0.036 4.605 4.640 0.001 0.000 0.205 210 D C -0.232 176.071 176.300 0.005 0.000 0.961 210 D CA 0.901 54.898 54.000 -0.004 0.000 0.853 210 D CB 0.592 41.394 40.800 0.003 0.000 0.967 210 D HN 0.202 nan 8.370 nan 0.000 0.496 211 K N 0.815 121.211 120.400 -0.007 0.000 2.127 211 K HA 0.243 4.564 4.320 0.001 0.000 0.261 211 K C -0.898 175.704 176.600 0.003 0.000 1.129 211 K CA -0.276 56.007 56.287 -0.007 0.000 0.993 211 K CB 1.582 34.047 32.500 -0.058 0.000 1.410 211 K HN -0.052 nan 8.250 nan 0.000 0.380 212 V N 2.351 122.279 119.914 0.022 0.000 2.370 212 V HA 0.406 4.526 4.120 0.001 0.000 0.279 212 V C 0.143 176.258 176.094 0.034 0.000 1.029 212 V CA -0.794 61.534 62.300 0.046 0.000 0.870 212 V CB 1.216 33.077 31.823 0.064 0.000 0.984 212 V HN 0.727 nan 8.190 nan 0.000 0.451 213 A N 4.845 127.691 122.820 0.044 0.000 2.337 213 A HA 0.859 5.179 4.320 0.001 0.000 0.329 213 A C -0.731 176.879 177.584 0.044 0.000 1.146 213 A CA -0.577 51.474 52.037 0.022 0.000 0.800 213 A CB 1.640 20.648 19.000 0.013 0.000 1.220 213 A HN 0.618 nan 8.150 nan 0.000 0.472 214 V N 2.603 122.520 119.914 0.006 0.000 2.398 214 V HA 0.383 4.504 4.120 0.001 0.000 0.286 214 V C -0.715 175.360 176.094 -0.031 0.000 1.026 214 V CA -0.390 61.925 62.300 0.026 0.000 0.868 214 V CB 1.199 33.033 31.823 0.018 0.000 0.982 214 V HN 0.745 nan 8.190 nan 0.000 0.443 215 L N 6.920 128.150 121.223 0.011 0.000 2.295 215 L HA 0.555 4.895 4.340 0.001 0.000 0.281 215 L C -0.262 176.595 176.870 -0.022 0.000 1.018 215 L CA 0.089 54.926 54.840 -0.005 0.000 0.841 215 L CB 1.515 43.611 42.059 0.060 0.000 1.218 215 L HN 0.444 nan 8.230 nan 0.000 0.424 216 V N 5.283 125.162 119.914 -0.058 0.000 2.488 216 V HA 0.585 4.706 4.120 0.001 0.000 0.277 216 V C 0.986 177.053 176.094 -0.044 0.000 1.046 216 V CA 0.056 62.340 62.300 -0.026 0.000 0.986 216 V CB 0.728 32.546 31.823 -0.009 0.000 0.989 216 V HN 0.892 nan 8.190 nan 0.000 0.475 217 G N 2.583 111.364 108.800 -0.031 0.000 2.461 217 G HA2 0.439 4.399 3.960 0.001 0.000 0.329 217 G HA3 0.439 4.399 3.960 0.001 0.000 0.329 217 G C 0.770 175.674 174.900 0.007 0.000 1.170 217 G CA 0.134 45.175 45.100 -0.099 0.000 0.935 217 G HN 0.812 nan 8.290 nan 0.000 0.492 218 S N -1.039 114.617 115.700 -0.073 0.000 2.607 218 S HA 0.054 4.524 4.470 0.001 0.000 0.224 218 S C 1.201 175.910 174.600 0.182 0.000 0.969 218 S CA 0.316 58.538 58.200 0.037 0.000 0.927 218 S CB 0.044 63.154 63.200 -0.150 0.000 0.772 218 S HN 0.511 nan 8.310 nan 0.000 0.533 219 K N 0.182 120.619 120.400 0.062 0.000 2.399 219 K HA 0.355 4.676 4.320 0.001 0.000 0.204 219 K C 1.072 177.661 176.600 -0.020 0.000 1.023 219 K CA -0.206 56.088 56.287 0.011 0.000 1.127 219 K CB 0.114 32.584 32.500 -0.050 0.000 0.856 219 K HN 0.165 nan 8.250 nan 0.000 0.514 220 L N 1.516 122.758 121.223 0.031 0.000 2.046 220 L HA -0.135 4.205 4.340 0.001 0.000 0.208 220 L C 2.304 179.051 176.870 -0.205 0.000 1.077 220 L CA 1.785 56.599 54.840 -0.044 0.000 0.747 220 L CB -0.215 41.879 42.059 0.058 0.000 0.896 220 L HN 0.117 nan 8.230 nan 0.000 0.432 221 R N -0.836 119.388 120.500 -0.459 0.000 2.092 221 R HA -0.109 4.231 4.340 0.001 0.000 0.231 221 R C 2.141 178.297 176.300 -0.239 0.000 1.119 221 R CA 1.209 57.019 56.100 -0.484 0.000 0.970 221 R CB -0.334 29.498 30.300 -0.780 0.000 0.864 221 R HN 0.444 nan 8.270 nan 0.000 0.440 222 A N 0.508 123.226 122.820 -0.170 0.000 2.019 222 A HA -0.052 4.269 4.320 0.001 0.000 0.219 222 A C 2.144 179.663 177.584 -0.109 0.000 1.164 222 A CA 1.537 53.503 52.037 -0.117 0.000 0.644 222 A CB -0.493 18.447 19.000 -0.099 0.000 0.805 222 A HN 0.511 nan 8.150 nan 0.000 0.449 223 A N -1.524 121.232 122.820 -0.107 0.000 2.208 223 A HA 0.407 4.727 4.320 0.001 0.000 0.209 223 A C 1.765 179.307 177.584 -0.071 0.000 1.161 223 A CA 1.103 53.086 52.037 -0.089 0.000 0.782 223 A CB -1.014 17.943 19.000 -0.071 0.000 0.816 223 A HN 1.842 nan 8.150 nan 0.000 0.477 224 G N -1.701 107.046 108.800 -0.089 0.000 2.249 224 G HA2 -0.024 3.936 3.960 0.001 0.000 0.273 224 G HA3 -0.024 3.936 3.960 0.001 0.000 0.273 224 G C 0.632 175.499 174.900 -0.054 0.000 1.036 224 G CA 0.456 45.511 45.100 -0.075 0.000 0.824 224 G HN 1.570 nan 8.290 nan 0.000 0.504 225 A N -1.090 121.695 122.820 -0.058 0.000 2.564 225 A HA 0.607 4.928 4.320 0.001 0.000 0.279 225 A C 1.429 179.012 177.584 -0.003 0.000 1.232 225 A CA 1.027 53.054 52.037 -0.016 0.000 0.950 225 A CB 0.165 19.167 19.000 0.004 0.000 1.138 225 A HN 0.488 nan 8.150 nan 0.000 0.526 226 E N 0.241 120.415 120.200 -0.043 0.000 2.058 226 E HA -0.237 4.113 4.350 0.001 0.000 0.194 226 E C 1.791 178.394 176.600 0.006 0.000 0.997 226 E CA 1.520 57.907 56.400 -0.020 0.000 0.801 226 E CB 0.014 29.660 29.700 -0.091 0.000 0.746 226 E HN 0.795 nan 8.360 nan 0.000 0.450 227 E N 0.326 120.516 120.200 -0.017 0.000 2.072 227 E HA -0.156 4.195 4.350 0.001 0.000 0.191 227 E C 2.008 178.622 176.600 0.023 0.000 0.985 227 E CA 0.853 57.245 56.400 -0.015 0.000 0.801 227 E CB -0.042 29.643 29.700 -0.026 0.000 0.750 227 E HN 0.214 nan 8.360 nan 0.000 0.452 228 A N 0.994 123.836 122.820 0.036 0.000 2.015 228 A HA -0.034 4.286 4.320 0.001 0.000 0.219 228 A C 2.289 179.949 177.584 0.127 0.000 1.163 228 A CA 1.479 53.553 52.037 0.061 0.000 0.646 228 A CB -0.493 18.532 19.000 0.042 0.000 0.806 228 A HN 0.394 nan 8.150 nan 0.000 0.448 229 A N -0.484 122.429 122.820 0.155 0.000 1.930 229 A HA 0.055 4.376 4.320 0.001 0.000 0.217 229 A C 2.173 179.978 177.584 0.369 0.000 1.175 229 A CA 1.591 53.794 52.037 0.277 0.000 0.627 229 A CB -0.759 18.417 19.000 0.293 0.000 0.815 229 A HN 0.351 nan 8.150 nan 0.000 0.443 230 V N 0.244 120.297 119.914 0.232 0.000 2.295 230 V HA -0.276 3.844 4.120 0.001 0.000 0.246 230 V C 2.442 178.610 176.094 0.124 0.000 1.049 230 V CA 2.309 64.691 62.300 0.135 0.000 1.024 230 V CB -0.692 31.081 31.823 -0.083 0.000 0.648 230 V HN 0.520 nan 8.190 nan 0.000 0.447 231 K N -0.716 119.744 120.400 0.101 0.000 2.063 231 K HA -0.212 4.108 4.320 0.001 0.000 0.208 231 K C 2.112 178.772 176.600 0.100 0.000 1.048 231 K CA 2.017 58.351 56.287 0.079 0.000 0.928 231 K CB -0.352 32.187 32.500 0.065 0.000 0.713 231 K HN 0.480 nan 8.250 nan 0.000 0.442 232 F N 1.373 121.331 119.950 0.013 0.000 2.146 232 F HA -0.108 4.420 4.527 0.001 0.000 0.298 232 F C 2.055 177.842 175.800 -0.022 0.000 1.096 232 F CA 1.209 59.198 58.000 -0.018 0.000 1.275 232 F CB -0.370 38.613 39.000 -0.029 0.000 1.008 232 F HN -0.053 nan 8.300 nan 0.000 0.480 233 A N 0.072 122.817 122.820 -0.125 0.000 1.930 233 A HA -0.155 4.165 4.320 0.001 0.000 0.217 233 A C 1.960 179.280 177.584 -0.439 0.000 1.175 233 A CA 1.869 53.739 52.037 -0.278 0.000 0.627 233 A CB -0.954 18.151 19.000 0.175 0.000 0.815 233 A HN 0.433 nan 8.150 nan 0.000 0.443 234 D N 0.122 120.412 120.400 -0.183 0.000 2.144 234 D HA -0.023 4.617 4.640 0.001 0.000 0.200 234 D C 2.222 178.420 176.300 -0.170 0.000 0.978 234 D CA 1.461 55.397 54.000 -0.106 0.000 0.833 234 D CB -0.392 40.445 40.800 0.062 0.000 0.961 234 D HN 0.419 nan 8.370 nan 0.000 0.470 235 A N 0.659 123.366 122.820 -0.188 0.000 1.898 235 A HA -0.107 4.213 4.320 0.001 0.000 0.216 235 A C 2.177 179.615 177.584 -0.243 0.000 1.181 235 A CA 0.889 52.830 52.037 -0.161 0.000 0.620 235 A CB -0.700 18.236 19.000 -0.105 0.000 0.819 235 A HN 0.232 nan 8.150 nan 0.000 0.442 236 L N -0.486 120.463 121.223 -0.455 0.000 2.056 236 L HA 0.123 4.463 4.340 0.001 0.000 0.207 236 L C 1.709 178.392 176.870 -0.310 0.000 1.078 236 L CA 2.049 56.622 54.840 -0.446 0.000 0.749 236 L CB -0.676 40.929 42.059 -0.757 0.000 0.901 236 L HN 0.771 nan 8.230 nan 0.000 0.433 237 G N -1.236 107.304 108.800 -0.433 0.000 2.198 237 G HA2 -0.230 3.731 3.960 0.001 0.000 0.260 237 G HA3 -0.230 3.731 3.960 0.001 0.000 0.260 237 G C 0.597 175.417 174.900 -0.133 0.000 1.025 237 G CA 0.321 45.243 45.100 -0.296 0.000 0.769 237 G HN 0.867 nan 8.290 nan 0.000 0.507 238 G N -0.911 107.755 108.800 -0.223 0.000 2.537 238 G HA2 0.815 4.776 3.960 0.001 0.000 0.297 238 G HA3 0.815 4.776 3.960 0.001 0.000 0.297 238 G C 0.372 175.259 174.900 -0.023 0.000 1.310 238 G CA 0.131 45.182 45.100 -0.081 0.000 1.027 238 G HN 1.511 nan 8.290 nan 0.000 0.505 239 A N -0.965 121.852 122.820 -0.007 0.000 2.366 239 A HA 0.562 4.882 4.320 0.001 0.000 0.272 239 A C -0.362 177.163 177.584 -0.099 0.000 1.135 239 A CA -0.257 51.756 52.037 -0.041 0.000 0.804 239 A CB 0.677 19.643 19.000 -0.055 0.000 1.064 239 A HN 0.783 nan 8.150 nan 0.000 0.499 240 V N 2.017 121.849 119.914 -0.136 0.000 2.409 240 V HA 0.679 4.799 4.120 0.001 0.000 0.291 240 V C 0.392 176.340 176.094 -0.243 0.000 1.020 240 V CA -0.145 62.014 62.300 -0.235 0.000 0.848 240 V CB 1.091 32.627 31.823 -0.478 0.000 0.990 240 V HN 1.197 nan 8.190 nan 0.000 0.430 241 A N 3.313 126.004 122.820 -0.215 0.000 2.374 241 A HA 0.927 5.248 4.320 0.001 0.000 0.317 241 A C 0.068 177.603 177.584 -0.082 0.000 1.094 241 A CA -0.547 51.369 52.037 -0.202 0.000 0.765 241 A CB 1.721 20.600 19.000 -0.201 0.000 1.268 241 A HN 0.874 nan 8.150 nan 0.000 0.438 242 T N 0.081 114.640 114.554 0.008 0.000 2.867 242 T HA 0.637 4.987 4.350 0.001 0.000 0.282 242 T C 0.285 174.905 174.700 -0.132 0.000 1.000 242 T CA -0.561 61.522 62.100 -0.028 0.000 1.042 242 T CB 0.582 69.470 68.868 0.033 0.000 0.973 242 T HN 0.544 nan 8.240 nan 0.000 0.465 243 M N 2.036 121.525 119.600 -0.187 0.000 2.226 243 M HA 0.347 4.828 4.480 0.001 0.000 0.324 243 M C 1.924 177.937 176.300 -0.479 0.000 1.112 243 M CA -0.586 54.535 55.300 -0.298 0.000 1.176 243 M CB 0.472 32.893 32.600 -0.298 0.000 1.430 243 M HN 0.955 nan 8.290 nan 0.000 0.462 244 A N 1.781 124.117 122.820 -0.806 0.000 1.892 244 A HA -0.168 4.152 4.320 0.001 0.000 0.218 244 A C 2.051 179.088 177.584 -0.911 0.000 1.188 244 A CA 2.408 53.780 52.037 -1.108 0.000 0.631 244 A CB -1.067 16.514 19.000 -2.365 0.000 0.822 244 A HN 0.953 nan 8.150 nan 0.000 0.447 245 A N -1.247 121.053 122.820 -0.866 0.000 2.206 245 A HA 0.452 4.773 4.320 0.001 0.000 0.211 245 A C 1.866 179.099 177.584 -0.585 0.000 1.158 245 A CA 1.260 52.877 52.037 -0.700 0.000 0.761 245 A CB -0.513 18.124 19.000 -0.605 0.000 0.801 245 A HN 1.086 nan 8.150 nan 0.000 0.473 246 A N -0.658 121.809 122.820 -0.588 0.000 2.387 246 A HA 0.341 4.661 4.320 0.001 0.000 0.234 246 A C 0.881 178.062 177.584 -0.672 0.000 1.253 246 A CA -0.116 51.453 52.037 -0.779 0.000 0.894 246 A CB -0.314 18.493 19.000 -0.321 0.000 0.963 246 A HN 0.292 nan 8.150 nan 0.000 0.508 247 K N 1.397 121.539 120.400 -0.430 0.000 2.473 247 K HA 0.116 4.436 4.320 0.001 0.000 0.277 247 K C 1.003 177.449 176.600 -0.258 0.000 1.052 247 K CA 1.248 57.391 56.287 -0.240 0.000 1.114 247 K CB -0.178 32.270 32.500 -0.086 0.000 0.869 247 K HN 1.075 nan 8.250 nan 0.000 0.481 248 S N 2.679 118.313 115.700 -0.111 0.000 2.659 248 S HA -0.142 4.328 4.470 0.001 0.000 0.264 248 S C 0.636 175.377 174.600 0.235 0.000 1.310 248 S CA 0.692 58.896 58.200 0.006 0.000 1.262 248 S CB -2.153 61.045 63.200 -0.003 0.000 1.548 248 S HN 0.503 nan 8.310 nan 0.000 0.657 249 F N 1.239 121.170 119.950 -0.031 0.000 2.811 249 F HA 0.623 5.151 4.527 0.001 0.000 0.301 249 F C 0.684 176.532 175.800 0.080 0.000 1.151 249 F CA -0.617 57.386 58.000 0.004 0.000 1.412 249 F CB -0.369 38.632 39.000 0.003 0.000 1.113 249 F HN 0.501 nan 8.300 nan 0.000 0.579 250 F N 0.442 120.409 119.950 0.028 0.000 2.608 250 F HA 0.519 5.047 4.527 0.001 0.000 0.309 250 F C -2.765 172.904 175.800 -0.219 0.000 1.103 250 F CA -2.882 55.072 58.000 -0.077 0.000 0.954 250 F CB 1.571 40.528 39.000 -0.072 0.000 1.267 250 F HN -0.318 nan 8.300 nan 0.000 0.444 251 P HA 0.163 nan 4.420 nan 0.000 0.266 251 P C -0.338 176.724 177.300 -0.397 0.000 1.215 251 P CA 0.284 63.102 63.100 -0.469 0.000 0.763 251 P CB 0.584 31.984 31.700 -0.500 0.000 0.806 252 E N 1.670 121.677 120.200 -0.321 0.000 2.481 252 E HA -0.081 4.270 4.350 0.001 0.000 0.195 252 E C 0.686 177.311 176.600 0.041 0.000 1.047 252 E CA 0.537 56.764 56.400 -0.288 0.000 0.867 252 E CB 0.150 29.747 29.700 -0.171 0.000 0.858 252 E HN 0.619 nan 8.360 nan 0.000 0.513 253 E N 0.827 121.018 120.200 -0.015 0.000 2.474 253 E HA 0.012 4.362 4.350 0.001 0.000 0.194 253 E C 0.484 177.100 176.600 0.026 0.000 1.041 253 E CA -0.281 56.135 56.400 0.027 0.000 0.874 253 E CB 0.248 29.945 29.700 -0.004 0.000 0.914 253 E HN 0.078 nan 8.360 nan 0.000 0.498 254 N N 1.865 120.573 118.700 0.012 0.000 2.454 254 N HA -0.030 4.711 4.740 0.001 0.000 0.260 254 N C -1.890 173.669 175.510 0.082 0.000 1.218 254 N CA -1.063 52.009 53.050 0.038 0.000 0.904 254 N CB 1.070 39.582 38.487 0.042 0.000 1.065 254 N HN -0.164 nan 8.380 nan 0.000 0.462 255 P HA -0.084 nan 4.420 nan 0.000 0.223 255 P C 0.368 177.551 177.300 -0.195 0.000 1.144 255 P CA 1.258 64.248 63.100 -0.182 0.000 0.783 255 P CB 0.080 31.571 31.700 -0.349 0.000 0.771 256 H N -3.783 115.393 119.070 0.177 0.000 2.563 256 H HA 0.080 4.636 4.556 0.001 0.000 0.264 256 H C 0.305 175.710 175.328 0.128 0.000 0.957 256 H CA -0.164 55.966 56.048 0.137 0.000 1.173 256 H CB -0.351 29.491 29.762 0.133 0.000 1.420 256 H HN 0.168 nan 8.280 nan 0.000 0.551 257 Y N 2.808 123.213 120.300 0.176 0.000 2.436 257 Y HA 0.077 4.627 4.550 0.001 0.000 0.336 257 Y C 1.426 177.286 175.900 -0.067 0.000 1.049 257 Y CA -0.671 57.482 58.100 0.088 0.000 1.294 257 Y CB 0.280 38.876 38.460 0.226 0.000 1.179 257 Y HN 0.108 nan 8.280 nan 0.000 0.520 258 I N 2.728 122.849 120.570 -0.748 0.000 4.018 258 I HA 0.619 4.790 4.170 0.001 0.000 0.337 258 I C 0.786 176.419 176.117 -0.807 0.000 1.327 258 I CA 0.495 61.261 61.300 -0.890 0.000 1.100 258 I CB -0.030 37.143 38.000 -1.379 0.000 1.025 258 I HN 0.773 nan 8.210 nan 0.000 0.396 259 G N 1.202 109.144 108.800 -1.429 0.000 2.396 259 G HA2 -0.126 3.834 3.960 0.001 0.000 0.254 259 G HA3 -0.126 3.834 3.960 0.001 0.000 0.254 259 G C -0.536 173.841 174.900 -0.871 0.000 1.248 259 G CA -0.357 44.026 45.100 -1.195 0.000 1.033 259 G HN 0.150 nan 8.290 nan 0.000 0.502 260 T N 0.757 114.718 114.554 -0.988 0.000 2.851 260 T HA 0.505 4.855 4.350 0.001 0.000 0.298 260 T C 0.562 175.195 174.700 -0.112 0.000 0.977 260 T CA 0.940 62.792 62.100 -0.414 0.000 1.126 260 T CB 1.300 70.004 68.868 -0.273 0.000 0.916 260 T HN 1.176 nan 8.240 nan 0.000 0.529 261 S N 3.449 119.118 115.700 -0.052 0.000 2.423 261 S HA 0.427 4.897 4.470 0.001 0.000 0.317 261 S C -1.197 173.509 174.600 0.177 0.000 1.065 261 S CA -0.693 57.545 58.200 0.064 0.000 1.111 261 S CB 0.016 63.233 63.200 0.028 0.000 0.968 261 S HN 0.756 nan 8.310 nan 0.000 0.474 262 W N 5.655 126.979 121.300 0.039 0.000 1.375 262 W HA 0.415 5.075 4.660 0.001 0.000 0.310 262 W C 0.579 177.166 176.519 0.112 0.000 0.887 262 W CA -0.420 56.960 57.345 0.058 0.000 1.672 262 W CB 0.034 29.510 29.460 0.026 0.000 1.824 262 W HN 1.081 nan 8.180 nan 0.000 0.448 263 G N 2.500 111.488 108.800 0.313 0.000 2.634 263 G HA2 -0.428 3.533 3.960 0.001 0.000 0.309 263 G HA3 -0.428 3.533 3.960 0.001 0.000 0.309 263 G C 1.066 176.051 174.900 0.141 0.000 1.265 263 G CA 1.158 46.376 45.100 0.196 0.000 0.998 263 G HN 0.598 nan 8.290 nan 0.000 0.551 264 E N 0.322 120.574 120.200 0.086 0.000 2.511 264 E HA 0.165 4.516 4.350 0.001 0.000 0.196 264 E C 1.741 178.368 176.600 0.045 0.000 1.066 264 E CA 1.271 57.707 56.400 0.060 0.000 0.871 264 E CB -0.079 29.639 29.700 0.031 0.000 0.863 264 E HN 1.237 nan 8.360 nan 0.000 0.520 265 V N -1.569 118.366 119.914 0.036 0.000 3.043 265 V HA 0.295 4.415 4.120 0.001 0.000 0.357 265 V C 0.246 176.458 176.094 0.196 0.000 1.372 265 V CA -0.806 61.518 62.300 0.040 0.000 1.214 265 V CB 0.085 31.835 31.823 -0.122 0.000 1.224 265 V HN 0.028 nan 8.190 nan 0.000 0.507 266 S N 0.535 116.372 115.700 0.228 0.000 2.589 266 S HA 0.477 4.947 4.470 0.001 0.000 0.265 266 S C -0.127 174.684 174.600 0.353 0.000 1.342 266 S CA -0.106 58.271 58.200 0.295 0.000 1.005 266 S CB 0.297 63.633 63.200 0.225 0.000 0.909 266 S HN 0.475 nan 8.310 nan 0.000 0.555 267 Y N 1.762 122.134 120.300 0.120 0.000 2.511 267 Y HA 0.165 4.715 4.550 0.001 0.000 0.347 267 Y C -1.914 174.062 175.900 0.126 0.000 1.257 267 Y CA -1.885 56.280 58.100 0.107 0.000 1.469 267 Y CB -0.814 37.691 38.460 0.076 0.000 1.353 267 Y HN 0.396 nan 8.280 nan 0.000 0.617 268 P HA 0.089 nan 4.420 nan 0.000 0.261 268 P C 0.688 178.132 177.300 0.241 0.000 1.183 268 P CA 1.865 65.057 63.100 0.153 0.000 0.761 268 P CB 0.316 32.056 31.700 0.067 0.000 0.785 269 G N 1.636 110.555 108.800 0.199 0.000 2.268 269 G HA2 -0.321 3.640 3.960 0.001 0.000 0.240 269 G HA3 -0.321 3.640 3.960 0.001 0.000 0.240 269 G C 1.031 176.173 174.900 0.404 0.000 1.010 269 G CA 0.256 45.502 45.100 0.244 0.000 0.618 269 G HN 0.393 nan 8.290 nan 0.000 0.516 270 V N 0.993 121.123 119.914 0.360 0.000 2.358 270 V HA -0.067 4.054 4.120 0.001 0.000 0.246 270 V C 2.427 178.636 176.094 0.191 0.000 1.047 270 V CA 2.811 65.251 62.300 0.233 0.000 1.035 270 V CB -0.301 31.594 31.823 0.119 0.000 0.658 270 V HN 0.611 nan 8.190 nan 0.000 0.452 271 E N 0.355 120.666 120.200 0.185 0.000 2.058 271 E HA -0.261 4.090 4.350 0.001 0.000 0.194 271 E C 2.291 178.984 176.600 0.155 0.000 0.997 271 E CA 1.476 57.968 56.400 0.153 0.000 0.801 271 E CB -0.024 29.759 29.700 0.138 0.000 0.746 271 E HN 0.567 nan 8.360 nan 0.000 0.450 272 K N -0.396 120.123 120.400 0.198 0.000 2.026 272 K HA -0.098 4.223 4.320 0.001 0.000 0.208 272 K C 2.251 179.007 176.600 0.260 0.000 1.048 272 K CA 1.748 58.178 56.287 0.239 0.000 0.929 272 K CB -0.187 32.497 32.500 0.306 0.000 0.713 272 K HN 0.134 nan 8.250 nan 0.000 0.439 273 T N 1.552 116.319 114.554 0.354 0.000 2.720 273 T HA -0.137 4.213 4.350 0.001 0.000 0.268 273 T C 1.822 176.554 174.700 0.053 0.000 1.037 273 T CA 1.235 63.505 62.100 0.283 0.000 1.144 273 T CB -0.050 69.051 68.868 0.389 0.000 0.864 273 T HN 0.104 nan 8.240 nan 0.000 0.444 274 M N 0.925 120.570 119.600 0.075 0.000 2.175 274 M HA 0.041 4.522 4.480 0.001 0.000 0.264 274 M C 2.255 178.562 176.300 0.011 0.000 1.063 274 M CA 1.260 56.583 55.300 0.038 0.000 1.119 274 M CB -0.922 31.715 32.600 0.061 0.000 1.377 274 M HN 0.190 nan 8.290 nan 0.000 0.415 275 K N 0.266 120.678 120.400 0.019 0.000 2.148 275 K HA -0.150 4.171 4.320 0.001 0.000 0.204 275 K C 1.598 178.159 176.600 -0.066 0.000 1.050 275 K CA 1.019 57.306 56.287 0.000 0.000 0.942 275 K CB 0.259 32.778 32.500 0.032 0.000 0.724 275 K HN 0.178 nan 8.250 nan 0.000 0.446 276 E N 0.338 120.436 120.200 -0.169 0.000 2.299 276 E HA 0.041 4.391 4.350 0.001 0.000 0.193 276 E C 0.281 176.716 176.600 -0.275 0.000 0.998 276 E CA 0.176 56.374 56.400 -0.335 0.000 0.851 276 E CB -0.010 29.153 29.700 -0.894 0.000 0.795 276 E HN 0.287 nan 8.360 nan 0.000 0.492 277 A N 1.964 124.673 122.820 -0.185 0.000 2.561 277 A HA -0.065 4.255 4.320 0.001 0.000 0.234 277 A C 0.717 178.264 177.584 -0.062 0.000 1.055 277 A CA 0.225 52.200 52.037 -0.104 0.000 0.756 277 A CB 0.232 19.211 19.000 -0.035 0.000 0.986 277 A HN -0.050 nan 8.150 nan 0.000 0.505 278 D N 0.626 120.999 120.400 -0.046 0.000 2.249 278 D HA 0.253 4.893 4.640 0.001 0.000 0.205 278 D C 0.605 176.915 176.300 0.017 0.000 0.962 278 D CA 1.710 55.689 54.000 -0.035 0.000 0.860 278 D CB 0.139 40.905 40.800 -0.057 0.000 0.955 278 D HN 0.711 nan 8.370 nan 0.000 0.505 279 A N 0.349 123.208 122.820 0.066 0.000 2.488 279 A HA 0.539 4.859 4.320 0.001 0.000 0.298 279 A C -1.126 176.547 177.584 0.148 0.000 1.044 279 A CA -0.559 51.588 52.037 0.184 0.000 0.693 279 A CB 1.989 21.144 19.000 0.259 0.000 1.272 279 A HN -0.099 nan 8.150 nan 0.000 0.402 280 V N 3.443 123.452 119.914 0.158 0.000 2.409 280 V HA 0.385 4.506 4.120 0.001 0.000 0.291 280 V C -0.412 175.759 176.094 0.128 0.000 1.020 280 V CA -0.182 62.190 62.300 0.119 0.000 0.848 280 V CB 1.371 33.250 31.823 0.094 0.000 0.990 280 V HN 0.724 nan 8.190 nan 0.000 0.430 281 I N 4.620 125.272 120.570 0.136 0.000 2.291 281 I HA 0.531 4.701 4.170 0.001 0.000 0.290 281 I C 0.629 176.811 176.117 0.108 0.000 1.050 281 I CA -0.281 61.099 61.300 0.132 0.000 1.245 281 I CB 1.307 39.423 38.000 0.195 0.000 1.405 281 I HN 0.658 nan 8.210 nan 0.000 0.478 282 A N 8.317 131.194 122.820 0.095 0.000 2.269 282 A HA 0.606 4.926 4.320 0.001 0.000 0.302 282 A C -0.199 177.407 177.584 0.036 0.000 1.266 282 A CA -0.452 51.639 52.037 0.091 0.000 0.894 282 A CB 0.167 19.279 19.000 0.186 0.000 1.147 282 A HN 0.741 nan 8.150 nan 0.000 0.537 283 L N 2.831 124.066 121.223 0.020 0.000 2.282 283 L HA 0.454 4.794 4.340 0.001 0.000 0.287 283 L C 1.060 177.915 176.870 -0.025 0.000 1.075 283 L CA 0.026 54.871 54.840 0.008 0.000 0.839 283 L CB 0.615 42.699 42.059 0.042 0.000 1.219 283 L HN 1.056 nan 8.230 nan 0.000 0.434 284 A N 3.755 126.546 122.820 -0.049 0.000 2.519 284 A HA -0.123 4.198 4.320 0.001 0.000 0.297 284 A C -2.323 175.182 177.584 -0.132 0.000 1.472 284 A CA -0.301 51.691 52.037 -0.074 0.000 0.739 284 A CB -1.735 17.236 19.000 -0.048 0.000 1.096 284 A HN 0.485 nan 8.150 nan 0.000 0.414 285 P HA 0.545 nan 4.420 nan 0.000 0.282 285 P C -0.438 176.554 177.300 -0.513 0.000 1.259 285 P CA -0.366 62.448 63.100 -0.477 0.000 0.826 285 P CB 1.778 32.976 31.700 -0.837 0.000 1.064 286 V N 3.155 122.757 119.914 -0.520 0.000 2.350 286 V HA 0.271 4.392 4.120 0.001 0.000 0.285 286 V C -0.403 175.472 176.094 -0.365 0.000 1.014 286 V CA -0.310 61.786 62.300 -0.341 0.000 0.831 286 V CB 0.187 31.901 31.823 -0.182 0.000 1.000 286 V HN 0.318 nan 8.190 nan 0.000 0.433 287 F N 5.640 125.614 119.950 0.040 0.000 2.335 287 F HA 0.489 5.017 4.527 0.001 0.000 0.365 287 F C 0.625 176.490 175.800 0.108 0.000 1.122 287 F CA -0.751 57.295 58.000 0.076 0.000 1.151 287 F CB 0.517 39.597 39.000 0.134 0.000 1.282 287 F HN 0.680 nan 8.300 nan 0.000 0.513 288 N N 0.280 119.059 118.700 0.132 0.000 3.002 288 N HA 0.228 4.968 4.740 0.001 0.000 0.331 288 N C 0.526 175.751 175.510 -0.475 0.000 1.384 288 N CA -0.751 52.295 53.050 -0.007 0.000 0.780 288 N CB 0.274 38.764 38.487 0.005 0.000 1.492 288 N HN 0.259 nan 8.380 nan 0.000 0.608 289 D N -1.367 118.644 120.400 -0.648 0.000 2.219 289 D HA -0.189 4.452 4.640 0.001 0.000 0.205 289 D C 0.963 177.116 176.300 -0.244 0.000 0.970 289 D CA 1.369 54.743 54.000 -1.043 0.000 0.851 289 D CB -0.383 40.093 40.800 -0.541 0.000 0.943 289 D HN 0.437 nan 8.370 nan 0.000 0.488 290 Y N 1.689 121.927 120.300 -0.103 0.000 2.243 290 Y HA -0.023 4.527 4.550 0.001 0.000 0.293 290 Y C 2.898 179.067 175.900 0.449 0.000 1.124 290 Y CA 0.737 59.025 58.100 0.312 0.000 1.159 290 Y CB -0.745 37.968 38.460 0.422 0.000 1.008 290 Y HN 0.138 nan 8.280 nan 0.000 0.527 291 S N -1.272 114.615 115.700 0.312 0.000 2.522 291 S HA -0.067 4.404 4.470 0.001 0.000 0.227 291 S C 1.500 176.282 174.600 0.303 0.000 0.986 291 S CA 0.982 59.296 58.200 0.191 0.000 0.929 291 S CB -0.910 62.263 63.200 -0.045 0.000 0.769 291 S HN 0.461 nan 8.310 nan 0.000 0.529 292 T N -1.773 112.906 114.554 0.208 0.000 3.145 292 T HA 0.233 4.584 4.350 0.001 0.000 0.255 292 T C 0.328 175.128 174.700 0.166 0.000 1.039 292 T CA 0.290 62.504 62.100 0.189 0.000 0.928 292 T CB -0.785 68.149 68.868 0.111 0.000 1.029 292 T HN 0.296 nan 8.240 nan 0.000 0.554 293 T N 1.822 116.531 114.554 0.259 0.000 3.580 293 T HA -0.056 4.294 4.350 0.001 0.000 0.402 293 T C 1.226 175.875 174.700 -0.085 0.000 0.765 293 T CA 0.808 62.982 62.100 0.124 0.000 2.064 293 T CB -2.219 66.728 68.868 0.130 0.000 1.724 293 T HN 1.736 nan 8.240 nan 0.000 0.719 294 G N 0.640 109.309 108.800 -0.218 0.000 2.246 294 G HA2 -0.283 3.678 3.960 0.001 0.000 0.273 294 G HA3 -0.283 3.678 3.960 0.001 0.000 0.273 294 G C 0.475 175.342 174.900 -0.055 0.000 1.055 294 G CA 0.660 45.612 45.100 -0.248 0.000 0.851 294 G HN 1.390 nan 8.290 nan 0.000 0.500 295 W N -2.986 118.363 121.300 0.082 0.000 3.456 295 W HA -0.327 4.334 4.660 0.001 0.000 0.314 295 W C 1.897 178.442 176.519 0.043 0.000 1.192 295 W CA 1.392 58.774 57.345 0.062 0.000 0.654 295 W CB -2.300 27.183 29.460 0.038 0.000 2.251 295 W HN 0.997 nan 8.180 nan 0.000 1.360 296 T N -4.119 110.545 114.554 0.182 0.000 3.054 296 T HA 0.029 4.379 4.350 0.001 0.000 0.259 296 T C 0.480 175.254 174.700 0.124 0.000 1.092 296 T CA 1.147 63.324 62.100 0.129 0.000 1.121 296 T CB 0.254 69.167 68.868 0.075 0.000 0.912 296 T HN 0.089 nan 8.240 nan 0.000 0.489 297 D N 0.731 121.218 120.400 0.146 0.000 2.434 297 D HA 0.406 5.047 4.640 0.001 0.000 0.275 297 D C -1.002 175.373 176.300 0.126 0.000 1.172 297 D CA -0.676 53.406 54.000 0.137 0.000 0.916 297 D CB -0.153 40.748 40.800 0.168 0.000 1.041 297 D HN 0.401 nan 8.370 nan 0.000 0.501 298 I N 3.154 123.770 120.570 0.078 0.000 2.378 298 I HA 0.376 4.546 4.170 0.001 0.000 0.291 298 I C -1.802 174.262 176.117 -0.089 0.000 0.992 298 I CA -2.139 59.152 61.300 -0.015 0.000 1.154 298 I CB 1.725 39.743 38.000 0.031 0.000 1.315 298 I HN 0.171 nan 8.210 nan 0.000 0.448 299 P HA 0.015 nan 4.420 nan 0.000 0.268 299 P C -0.614 176.623 177.300 -0.105 0.000 1.204 299 P CA -0.254 62.755 63.100 -0.151 0.000 0.768 299 P CB 0.370 31.928 31.700 -0.237 0.000 0.842 300 D N 3.967 124.344 120.400 -0.039 0.000 2.389 300 D HA -0.011 4.630 4.640 0.001 0.000 0.263 300 D C -1.411 174.882 176.300 -0.011 0.000 1.255 300 D CA -1.574 52.416 54.000 -0.016 0.000 0.914 300 D CB 0.581 41.387 40.800 0.010 0.000 1.116 300 D HN 0.139 nan 8.370 nan 0.000 0.502 301 P HA -0.138 nan 4.420 nan 0.000 0.218 301 P C 0.736 178.051 177.300 0.024 0.000 1.148 301 P CA 1.225 64.314 63.100 -0.018 0.000 0.822 301 P CB 0.296 31.982 31.700 -0.023 0.000 0.784 302 K N -0.522 119.909 120.400 0.051 0.000 2.439 302 K HA -0.013 4.307 4.320 0.001 0.000 0.197 302 K C 1.575 178.301 176.600 0.210 0.000 1.041 302 K CA 0.984 57.336 56.287 0.108 0.000 0.970 302 K CB -0.223 32.322 32.500 0.077 0.000 0.773 302 K HN 0.180 nan 8.250 nan 0.000 0.479 303 K N -0.222 120.280 120.400 0.170 0.000 2.358 303 K HA 0.152 4.473 4.320 0.001 0.000 0.200 303 K C -0.376 176.365 176.600 0.236 0.000 1.030 303 K CA -0.277 56.158 56.287 0.246 0.000 1.097 303 K CB 0.420 32.996 32.500 0.127 0.000 0.862 303 K HN -0.043 nan 8.250 nan 0.000 0.534 304 L N 1.744 123.021 121.223 0.089 0.000 2.276 304 L HA 0.213 4.553 4.340 0.001 0.000 0.286 304 L C -0.769 176.023 176.870 -0.130 0.000 1.061 304 L CA -0.391 54.454 54.840 0.008 0.000 0.807 304 L CB 1.345 43.401 42.059 -0.006 0.000 1.177 304 L HN -0.259 nan 8.230 nan 0.000 0.429 305 V N 6.696 126.554 119.914 -0.093 0.000 2.350 305 V HA 0.288 4.408 4.120 0.001 0.000 0.276 305 V C -0.254 175.810 176.094 -0.050 0.000 1.028 305 V CA -0.548 61.664 62.300 -0.145 0.000 0.860 305 V CB 1.296 33.072 31.823 -0.078 0.000 0.990 305 V HN 0.571 nan 8.190 nan 0.000 0.453 306 L N 5.932 127.114 121.223 -0.068 0.000 2.270 306 L HA 0.691 5.032 4.340 0.001 0.000 0.286 306 L C 0.534 177.347 176.870 -0.094 0.000 1.059 306 L CA -0.090 54.734 54.840 -0.027 0.000 0.839 306 L CB 0.781 42.842 42.059 0.003 0.000 1.221 306 L HN 0.682 nan 8.230 nan 0.000 0.431 307 A N 5.161 127.921 122.820 -0.101 0.000 2.540 307 A HA 0.552 4.873 4.320 0.001 0.000 0.340 307 A C 0.083 177.592 177.584 -0.124 0.000 1.424 307 A CA -0.653 51.263 52.037 -0.201 0.000 0.940 307 A CB -0.176 18.707 19.000 -0.194 0.000 1.149 307 A HN 0.623 nan 8.150 nan 0.000 0.505 308 E N 2.246 122.375 120.200 -0.118 0.000 2.342 308 E HA 0.177 4.528 4.350 0.001 0.000 0.257 308 E C -1.640 174.907 176.600 -0.088 0.000 1.150 308 E CA -1.883 54.467 56.400 -0.084 0.000 0.926 308 E CB 0.229 29.890 29.700 -0.064 0.000 1.074 308 E HN 0.243 nan 8.360 nan 0.000 0.449 309 P HA -0.083 nan 4.420 nan 0.000 0.218 309 P C 0.607 177.839 177.300 -0.114 0.000 1.148 309 P CA 1.587 64.630 63.100 -0.095 0.000 0.822 309 P CB 0.279 31.912 31.700 -0.112 0.000 0.784 310 R N -1.637 118.801 120.500 -0.103 0.000 2.572 310 R HA 0.274 4.615 4.340 0.001 0.000 0.370 310 R C 0.059 176.357 176.300 -0.004 0.000 1.005 310 R CA 0.115 56.167 56.100 -0.081 0.000 1.146 310 R CB 0.684 30.900 30.300 -0.139 0.000 1.390 310 R HN 0.192 nan 8.270 nan 0.000 0.553 311 S N -1.355 114.321 115.700 -0.040 0.000 2.588 311 S HA 0.582 5.053 4.470 0.001 0.000 0.269 311 S C -0.968 173.569 174.600 -0.105 0.000 1.157 311 S CA -0.779 57.403 58.200 -0.030 0.000 0.824 311 S CB 2.385 65.578 63.200 -0.012 0.000 1.126 311 S HN -0.142 nan 8.310 nan 0.000 0.464 312 V N 1.241 121.105 119.914 -0.084 0.000 2.638 312 V HA 0.615 4.736 4.120 0.001 0.000 0.306 312 V C -0.916 175.179 176.094 0.002 0.000 1.052 312 V CA -0.666 61.532 62.300 -0.170 0.000 0.885 312 V CB 1.813 33.375 31.823 -0.436 0.000 0.999 312 V HN 0.865 nan 8.190 nan 0.000 0.424 313 V N 5.108 124.993 119.914 -0.048 0.000 2.357 313 V HA 0.684 4.804 4.120 0.001 0.000 0.284 313 V C -0.387 175.669 176.094 -0.063 0.000 1.018 313 V CA -0.515 61.764 62.300 -0.034 0.000 0.841 313 V CB 1.656 33.445 31.823 -0.056 0.000 0.991 313 V HN 0.638 nan 8.190 nan 0.000 0.437 314 V N 5.200 125.105 119.914 -0.016 0.000 2.777 314 V HA 0.567 4.688 4.120 0.001 0.000 0.306 314 V C 0.244 176.291 176.094 -0.078 0.000 1.112 314 V CA -0.368 61.861 62.300 -0.117 0.000 0.917 314 V CB 1.897 33.700 31.823 -0.035 0.000 1.018 314 V HN 0.942 nan 8.190 nan 0.000 0.426 315 N N 4.245 122.792 118.700 -0.255 0.000 2.747 315 N HA -0.158 4.582 4.740 0.001 0.000 0.249 315 N C 0.852 176.380 175.510 0.030 0.000 1.107 315 N CA 2.022 55.075 53.050 0.005 0.000 0.707 315 N CB -1.170 37.418 38.487 0.169 0.000 1.054 315 N HN 2.295 nan 8.380 nan 0.000 0.555 316 G N -1.237 107.543 108.800 -0.033 0.000 2.160 316 G HA2 -0.280 3.681 3.960 0.001 0.000 0.251 316 G HA3 -0.280 3.681 3.960 0.001 0.000 0.251 316 G C 0.048 174.905 174.900 -0.072 0.000 1.008 316 G CA 0.521 45.602 45.100 -0.033 0.000 0.724 316 G HN 0.562 nan 8.290 nan 0.000 0.514 317 I N -0.669 119.838 120.570 -0.106 0.000 2.545 317 I HA 0.490 4.660 4.170 0.001 0.000 0.292 317 I C 0.325 176.216 176.117 -0.376 0.000 1.040 317 I CA -1.115 60.020 61.300 -0.275 0.000 1.068 317 I CB 2.089 39.873 38.000 -0.361 0.000 1.251 317 I HN 0.102 nan 8.210 nan 0.000 0.424 318 R N 5.149 125.393 120.500 -0.427 0.000 2.294 318 R HA 0.521 4.862 4.340 0.001 0.000 0.319 318 R C -1.729 174.289 176.300 -0.471 0.000 0.984 318 R CA -0.324 55.586 56.100 -0.317 0.000 0.861 318 R CB 0.711 30.908 30.300 -0.172 0.000 1.104 318 R HN 0.421 nan 8.270 nan 0.000 0.451 319 F N 7.051 126.964 119.950 -0.062 0.000 2.359 319 F HA 0.367 4.894 4.527 0.001 0.000 0.370 319 F C -1.798 173.973 175.800 -0.049 0.000 1.077 319 F CA -2.252 55.718 58.000 -0.051 0.000 1.136 319 F CB 1.313 40.278 39.000 -0.059 0.000 1.387 319 F HN 0.397 nan 8.300 nan 0.000 0.468 320 P HA 0.091 nan 4.420 nan 0.000 0.274 320 P C 0.137 177.494 177.300 0.094 0.000 1.256 320 P CA 0.015 63.154 63.100 0.065 0.000 0.795 320 P CB 1.114 32.832 31.700 0.031 0.000 1.038 321 S N -2.716 113.042 115.700 0.097 0.000 3.586 321 S HA -0.089 4.382 4.470 0.001 0.000 0.309 321 S C 0.039 174.711 174.600 0.121 0.000 1.195 321 S CA 0.654 58.928 58.200 0.124 0.000 0.895 321 S CB -1.986 61.259 63.200 0.075 0.000 0.983 321 S HN 0.412 nan 8.310 nan 0.000 0.563 322 V N 2.490 122.490 119.914 0.143 0.000 2.349 322 V HA 0.303 4.424 4.120 0.001 0.000 0.284 322 V C 0.382 176.591 176.094 0.192 0.000 1.014 322 V CA -0.631 61.730 62.300 0.102 0.000 0.826 322 V CB 0.957 32.791 31.823 0.018 0.000 1.009 322 V HN 0.496 nan 8.190 nan 0.000 0.431 323 H N 3.984 123.051 119.070 -0.004 0.000 2.722 323 H HA 0.115 4.672 4.556 0.001 0.000 0.328 323 H C 0.880 176.217 175.328 0.014 0.000 1.067 323 H CA -0.820 55.225 56.048 -0.006 0.000 1.447 323 H CB 1.948 31.709 29.762 -0.001 0.000 1.469 323 H HN 0.523 nan 8.280 nan 0.000 0.544 324 L N 4.171 125.452 121.223 0.096 0.000 2.043 324 L HA -0.240 4.101 4.340 0.001 0.000 0.212 324 L C 2.353 179.293 176.870 0.117 0.000 1.075 324 L CA 1.841 56.732 54.840 0.084 0.000 0.752 324 L CB -0.547 41.522 42.059 0.018 0.000 0.891 324 L HN 0.612 nan 8.230 nan 0.000 0.432 325 K N -0.944 119.509 120.400 0.089 0.000 2.057 325 K HA -0.197 4.124 4.320 0.001 0.000 0.207 325 K C 1.675 178.310 176.600 0.058 0.000 1.049 325 K CA 1.833 58.157 56.287 0.063 0.000 0.931 325 K CB -0.158 32.373 32.500 0.052 0.000 0.714 325 K HN 0.401 nan 8.250 nan 0.000 0.440 326 D N -0.331 120.116 120.400 0.079 0.000 2.123 326 D HA -0.167 4.473 4.640 0.001 0.000 0.200 326 D C 1.754 178.078 176.300 0.039 0.000 0.976 326 D CA 0.932 54.956 54.000 0.041 0.000 0.831 326 D CB -0.440 40.372 40.800 0.020 0.000 0.974 326 D HN 0.290 nan 8.370 nan 0.000 0.469 327 Y N 1.693 121.958 120.300 -0.057 0.000 2.128 327 Y HA -0.175 4.376 4.550 0.001 0.000 0.284 327 Y C 2.193 178.011 175.900 -0.136 0.000 1.154 327 Y CA 1.391 59.430 58.100 -0.103 0.000 1.149 327 Y CB -0.473 37.920 38.460 -0.111 0.000 0.976 327 Y HN -0.113 nan 8.280 nan 0.000 0.505 328 L N -0.951 120.178 121.223 -0.157 0.000 2.056 328 L HA -0.226 4.115 4.340 0.001 0.000 0.207 328 L C 2.380 179.166 176.870 -0.140 0.000 1.078 328 L CA 1.830 56.508 54.840 -0.271 0.000 0.749 328 L CB -0.881 41.134 42.059 -0.074 0.000 0.901 328 L HN 0.217 nan 8.230 nan 0.000 0.433 329 T N -0.989 113.527 114.554 -0.063 0.000 2.737 329 T HA -0.216 4.134 4.350 0.001 0.000 0.265 329 T C 2.014 176.685 174.700 -0.049 0.000 1.038 329 T CA 1.407 63.492 62.100 -0.026 0.000 1.144 329 T CB -0.146 68.714 68.868 -0.012 0.000 0.866 329 T HN 0.139 nan 8.240 nan 0.000 0.434 330 R N 0.689 121.137 120.500 -0.086 0.000 2.081 330 R HA 0.038 4.379 4.340 0.001 0.000 0.235 330 R C 2.157 178.388 176.300 -0.115 0.000 1.131 330 R CA 1.039 57.086 56.100 -0.089 0.000 0.960 330 R CB -0.922 29.324 30.300 -0.090 0.000 0.856 330 R HN 0.243 nan 8.270 nan 0.000 0.436 331 L N 0.223 121.313 121.223 -0.222 0.000 2.083 331 L HA 0.042 4.383 4.340 0.001 0.000 0.209 331 L C 2.060 178.950 176.870 0.034 0.000 1.083 331 L CA 2.118 56.834 54.840 -0.207 0.000 0.752 331 L CB -0.912 40.808 42.059 -0.566 0.000 0.899 331 L HN 0.308 nan 8.230 nan 0.000 0.433 332 A N -1.589 121.289 122.820 0.098 0.000 2.070 332 A HA -0.215 4.105 4.320 0.001 0.000 0.220 332 A C 2.127 179.738 177.584 0.045 0.000 1.159 332 A CA 1.495 53.614 52.037 0.138 0.000 0.656 332 A CB -0.423 18.653 19.000 0.127 0.000 0.800 332 A HN 0.650 nan 8.150 nan 0.000 0.453 333 Q N -0.850 118.959 119.800 0.016 0.000 2.269 333 Q HA 0.008 4.349 4.340 0.001 0.000 0.201 333 Q C 1.418 177.418 176.000 0.000 0.000 0.946 333 Q CA 1.117 56.920 55.803 0.001 0.000 0.877 333 Q CB 0.083 28.815 28.738 -0.010 0.000 0.963 333 Q HN 0.623 nan 8.270 nan 0.000 0.472 334 K N -0.484 119.917 120.400 0.002 0.000 2.425 334 K HA 0.180 4.500 4.320 0.001 0.000 0.201 334 K C 0.256 176.864 176.600 0.014 0.000 1.128 334 K CA -0.073 56.215 56.287 0.002 0.000 1.000 334 K CB 1.165 33.658 32.500 -0.010 0.000 0.961 334 K HN -0.064 nan 8.250 nan 0.000 0.555 335 V N 2.712 122.645 119.914 0.033 0.000 2.811 335 V HA 0.049 4.169 4.120 0.001 0.000 0.302 335 V C 0.134 176.233 176.094 0.008 0.000 1.063 335 V CA -0.057 62.269 62.300 0.043 0.000 1.088 335 V CB 1.340 33.226 31.823 0.105 0.000 0.982 335 V HN 0.400 nan 8.190 nan 0.000 0.485 336 S N 5.071 120.774 115.700 0.005 0.000 2.745 336 S HA 0.607 5.078 4.470 0.001 0.000 0.292 336 S C -0.460 174.124 174.600 -0.027 0.000 1.133 336 S CA -0.898 57.297 58.200 -0.009 0.000 0.998 336 S CB 1.190 64.391 63.200 0.001 0.000 1.087 336 S HN 0.621 nan 8.310 nan 0.000 0.551 337 K N 1.519 121.904 120.400 -0.026 0.000 2.472 337 K HA 0.180 4.500 4.320 0.001 0.000 0.280 337 K C -0.437 176.150 176.600 -0.021 0.000 1.028 337 K CA 0.562 56.829 56.287 -0.032 0.000 1.045 337 K CB 0.146 32.639 32.500 -0.011 0.000 0.902 337 K HN 0.394 nan 8.250 nan 0.000 0.478 338 K N 2.949 123.328 120.400 -0.035 0.000 2.624 338 K HA 0.089 4.409 4.320 0.001 0.000 0.200 338 K C 0.083 176.681 176.600 -0.004 0.000 1.036 338 K CA -0.151 56.129 56.287 -0.013 0.000 1.029 338 K CB 0.969 33.465 32.500 -0.008 0.000 1.317 338 K HN 0.720 nan 8.250 nan 0.000 0.555 339 T N -2.911 111.656 114.554 0.021 0.000 3.148 339 T HA -0.013 4.337 4.350 0.001 0.000 0.253 339 T C 1.833 176.578 174.700 0.075 0.000 1.134 339 T CA 0.635 62.766 62.100 0.051 0.000 1.051 339 T CB 0.155 69.062 68.868 0.065 0.000 0.959 339 T HN 0.411 nan 8.240 nan 0.000 0.525 340 G N 1.982 110.819 108.800 0.061 0.000 2.574 340 G HA2 -0.194 3.767 3.960 0.001 0.000 0.220 340 G HA3 -0.194 3.767 3.960 0.001 0.000 0.220 340 G C 1.804 176.778 174.900 0.125 0.000 1.173 340 G CA 0.985 46.133 45.100 0.079 0.000 0.772 340 G HN 0.744 nan 8.290 nan 0.000 0.585 341 A N -0.197 122.682 122.820 0.098 0.000 1.929 341 A HA 0.238 4.559 4.320 0.001 0.000 0.216 341 A C 2.340 180.064 177.584 0.233 0.000 1.176 341 A CA 1.556 53.672 52.037 0.131 0.000 0.628 341 A CB -0.325 18.708 19.000 0.055 0.000 0.816 341 A HN 0.441 nan 8.150 nan 0.000 0.444 342 L N 0.114 121.444 121.223 0.178 0.000 2.056 342 L HA -0.125 4.216 4.340 0.001 0.000 0.207 342 L C 1.544 178.572 176.870 0.263 0.000 1.078 342 L CA 2.286 57.255 54.840 0.215 0.000 0.749 342 L CB -0.595 41.566 42.059 0.171 0.000 0.901 342 L HN 0.312 nan 8.230 nan 0.000 0.433 343 D N -0.892 119.631 120.400 0.205 0.000 2.097 343 D HA -0.247 4.394 4.640 0.001 0.000 0.195 343 D C 2.043 178.451 176.300 0.181 0.000 0.989 343 D CA 1.582 55.680 54.000 0.165 0.000 0.827 343 D CB -0.386 40.491 40.800 0.128 0.000 0.966 343 D HN 0.410 nan 8.370 nan 0.000 0.456 344 F N 0.762 120.769 119.950 0.096 0.000 2.126 344 F HA -0.243 4.284 4.527 0.001 0.000 0.299 344 F C 2.141 178.004 175.800 0.106 0.000 1.096 344 F CA 1.160 59.211 58.000 0.085 0.000 1.255 344 F CB -0.350 38.701 39.000 0.084 0.000 0.997 344 F HN -0.103 nan 8.300 nan 0.000 0.479 345 F N 1.506 121.573 119.950 0.195 0.000 2.069 345 F HA -0.201 4.326 4.527 0.001 0.000 0.298 345 F C 2.278 178.055 175.800 -0.038 0.000 1.113 345 F CA 2.185 60.235 58.000 0.083 0.000 1.214 345 F CB -0.701 38.372 39.000 0.122 0.000 0.978 345 F HN -0.139 nan 8.300 nan 0.000 0.474 346 K N 0.054 120.433 120.400 -0.035 0.000 2.063 346 K HA -0.181 4.139 4.320 0.001 0.000 0.208 346 K C 2.261 178.726 176.600 -0.225 0.000 1.048 346 K CA 1.712 57.908 56.287 -0.151 0.000 0.928 346 K CB -0.517 32.000 32.500 0.028 0.000 0.713 346 K HN 0.429 nan 8.250 nan 0.000 0.442 347 S N 0.844 116.420 115.700 -0.206 0.000 2.507 347 S HA -0.026 4.445 4.470 0.001 0.000 0.235 347 S C 1.780 176.194 174.600 -0.310 0.000 0.988 347 S CA 0.566 58.632 58.200 -0.223 0.000 0.944 347 S CB -0.308 62.774 63.200 -0.197 0.000 0.762 347 S HN 0.206 nan 8.310 nan 0.000 0.526 348 L N 0.624 121.598 121.223 -0.416 0.000 2.313 348 L HA 0.079 4.419 4.340 0.001 0.000 0.214 348 L C 0.481 177.183 176.870 -0.280 0.000 1.119 348 L CA 0.186 54.796 54.840 -0.384 0.000 0.809 348 L CB -0.811 40.997 42.059 -0.418 0.000 0.933 348 L HN 0.259 nan 8.230 nan 0.000 0.449 349 N N -0.094 118.433 118.700 -0.288 0.000 2.716 349 N HA -0.235 4.505 4.740 0.001 0.000 0.250 349 N C 0.886 176.281 175.510 -0.192 0.000 1.033 349 N CA 0.848 53.772 53.050 -0.212 0.000 0.727 349 N CB -0.766 37.636 38.487 -0.142 0.000 0.950 349 N HN 0.428 nan 8.380 nan 0.000 0.541 350 A N -0.455 122.211 122.820 -0.257 0.000 2.167 350 A HA 0.428 4.748 4.320 0.001 0.000 0.214 350 A C 1.496 179.015 177.584 -0.109 0.000 1.151 350 A CA 1.509 53.445 52.037 -0.168 0.000 0.735 350 A CB -0.203 18.695 19.000 -0.170 0.000 0.802 350 A HN 1.324 nan 8.150 nan 0.000 0.467 351 G N -0.980 107.748 108.800 -0.121 0.000 2.760 351 G HA2 -0.098 3.863 3.960 0.001 0.000 0.246 351 G HA3 -0.098 3.863 3.960 0.001 0.000 0.246 351 G C -0.374 174.520 174.900 -0.010 0.000 1.359 351 G CA 0.000 45.065 45.100 -0.058 0.000 0.861 351 G HN 0.583 nan 8.290 nan 0.000 0.541 352 E N -1.480 118.723 120.200 0.004 0.000 2.322 352 E HA 0.602 4.953 4.350 0.001 0.000 0.257 352 E C 0.559 177.141 176.600 -0.030 0.000 1.155 352 E CA -0.775 55.640 56.400 0.024 0.000 0.936 352 E CB 0.838 30.553 29.700 0.025 0.000 1.130 352 E HN 0.810 nan 8.360 nan 0.000 0.465 353 L N 2.429 123.593 121.223 -0.099 0.000 2.477 353 L HA 0.056 4.397 4.340 0.001 0.000 0.272 353 L C -0.039 176.764 176.870 -0.112 0.000 1.157 353 L CA 0.668 55.386 54.840 -0.203 0.000 0.889 353 L CB 0.085 41.863 42.059 -0.468 0.000 1.158 353 L HN 0.336 nan 8.230 nan 0.000 0.473 354 K N 6.049 126.399 120.400 -0.083 0.000 2.395 354 K HA 0.084 4.405 4.320 0.001 0.000 0.283 354 K C -0.660 175.910 176.600 -0.049 0.000 1.068 354 K CA 0.150 56.406 56.287 -0.052 0.000 1.039 354 K CB 0.168 32.645 32.500 -0.039 0.000 0.924 354 K HN 0.619 nan 8.250 nan 0.000 0.468 355 K N 2.176 122.555 120.400 -0.035 0.000 2.208 355 K HA 0.399 4.720 4.320 0.001 0.000 0.247 355 K C -0.581 176.010 176.600 -0.015 0.000 0.953 355 K CA -0.916 55.356 56.287 -0.025 0.000 0.837 355 K CB 1.869 34.358 32.500 -0.019 0.000 1.131 355 K HN 0.637 nan 8.250 nan 0.000 0.431 356 A N 1.272 124.086 122.820 -0.011 0.000 2.386 356 A HA 0.562 4.883 4.320 0.001 0.000 0.248 356 A C -0.195 177.387 177.584 -0.004 0.000 1.082 356 A CA -0.242 51.791 52.037 -0.008 0.000 0.789 356 A CB 0.387 19.384 19.000 -0.006 0.000 1.025 356 A HN 0.763 nan 8.150 nan 0.000 0.490 357 A N 1.753 124.571 122.820 -0.003 0.000 2.264 357 A HA 0.687 5.007 4.320 0.001 0.000 0.304 357 A C -2.358 175.227 177.584 0.001 0.000 1.100 357 A CA -1.674 50.363 52.037 -0.000 0.000 0.839 357 A CB -0.565 18.435 19.000 -0.000 0.000 1.121 357 A HN 0.648 nan 8.150 nan 0.000 0.496 358 P HA 0.174 nan 4.420 nan 0.000 0.255 358 P C -0.107 177.196 177.300 0.006 0.000 1.161 358 P CA 0.761 63.865 63.100 0.005 0.000 0.768 358 P CB 0.150 31.855 31.700 0.007 0.000 0.746 359 A N 3.324 126.149 122.820 0.007 0.000 2.346 359 A HA 0.186 4.506 4.320 0.001 0.000 0.252 359 A C 0.378 177.967 177.584 0.009 0.000 1.089 359 A CA -0.396 51.646 52.037 0.008 0.000 0.797 359 A CB 0.021 19.027 19.000 0.010 0.000 1.047 359 A HN 0.503 nan 8.150 nan 0.000 0.494 360 D N 1.025 121.430 120.400 0.008 0.000 2.451 360 D HA 0.148 4.788 4.640 0.001 0.000 0.254 360 D C -1.555 174.751 176.300 0.011 0.000 1.204 360 D CA -1.199 52.806 54.000 0.009 0.000 0.896 360 D CB 0.697 41.501 40.800 0.006 0.000 1.136 360 D HN 0.106 nan 8.370 nan 0.000 0.499 361 P HA -0.158 nan 4.420 nan 0.000 0.217 361 P C 0.866 178.175 177.300 0.015 0.000 1.148 361 P CA 1.303 64.413 63.100 0.016 0.000 0.828 361 P CB 0.077 31.786 31.700 0.015 0.000 0.783 362 S N -2.354 113.352 115.700 0.010 0.000 2.575 362 S HA 0.368 4.838 4.470 0.001 0.000 0.215 362 S C 1.009 175.613 174.600 0.006 0.000 0.966 362 S CA -0.234 57.971 58.200 0.007 0.000 0.911 362 S CB -0.571 62.631 63.200 0.004 0.000 0.780 362 S HN 0.102 nan 8.310 nan 0.000 0.514 363 A N 2.865 125.690 122.820 0.009 0.000 2.407 363 A HA 0.580 4.901 4.320 0.001 0.000 0.248 363 A C -2.510 175.082 177.584 0.013 0.000 1.082 363 A CA -1.574 50.468 52.037 0.009 0.000 0.785 363 A CB -0.473 18.532 19.000 0.009 0.000 1.020 363 A HN 0.224 nan 8.150 nan 0.000 0.489 364 P HA 0.068 nan 4.420 nan 0.000 0.264 364 P C -0.289 177.030 177.300 0.031 0.000 1.183 364 P CA -0.060 63.051 63.100 0.019 0.000 0.763 364 P CB 0.214 31.924 31.700 0.016 0.000 0.807 365 L N 5.631 126.882 121.223 0.047 0.000 2.490 365 L HA 0.189 4.530 4.340 0.001 0.000 0.274 365 L C -0.100 176.801 176.870 0.052 0.000 1.201 365 L CA 0.296 55.170 54.840 0.057 0.000 0.869 365 L CB 0.139 42.251 42.059 0.088 0.000 1.123 365 L HN 0.222 nan 8.230 nan 0.000 0.484 366 V N 2.118 122.054 119.914 0.038 0.000 3.046 366 V HA 0.541 4.661 4.120 0.001 0.000 0.316 366 V C 0.812 176.920 176.094 0.023 0.000 1.104 366 V CA -0.532 61.786 62.300 0.030 0.000 1.006 366 V CB 1.535 33.370 31.823 0.020 0.000 1.058 366 V HN 0.799 nan 8.190 nan 0.000 0.440 367 N N 1.957 120.669 118.700 0.020 0.000 2.061 367 N HA -0.165 4.575 4.740 0.001 0.000 0.193 367 N C 1.686 177.199 175.510 0.005 0.000 1.030 367 N CA 2.605 55.663 53.050 0.014 0.000 0.856 367 N CB -0.293 38.203 38.487 0.015 0.000 1.023 367 N HN 1.008 nan 8.380 nan 0.000 0.424 368 A N -0.026 122.796 122.820 0.005 0.000 1.940 368 A HA -0.163 4.158 4.320 0.001 0.000 0.219 368 A C 2.154 179.733 177.584 -0.007 0.000 1.176 368 A CA 1.916 53.953 52.037 -0.000 0.000 0.631 368 A CB -0.814 18.186 19.000 -0.000 0.000 0.814 368 A HN 0.512 nan 8.150 nan 0.000 0.446 369 E N 0.363 120.561 120.200 -0.003 0.000 2.106 369 E HA -0.113 4.237 4.350 0.001 0.000 0.192 369 E C 1.684 178.271 176.600 -0.021 0.000 0.984 369 E CA 1.293 57.690 56.400 -0.005 0.000 0.806 369 E CB -0.395 29.310 29.700 0.009 0.000 0.750 369 E HN 0.654 nan 8.360 nan 0.000 0.458 370 I N 0.428 120.982 120.570 -0.027 0.000 2.142 370 I HA -0.279 3.891 4.170 0.001 0.000 0.240 370 I C 2.421 178.458 176.117 -0.133 0.000 1.078 370 I CA 1.146 62.400 61.300 -0.076 0.000 1.343 370 I CB -0.555 37.409 38.000 -0.061 0.000 1.046 370 I HN 0.198 nan 8.210 nan 0.000 0.405 371 A N 0.748 123.519 122.820 -0.082 0.000 1.940 371 A HA -0.263 4.058 4.320 0.001 0.000 0.219 371 A C 2.466 180.008 177.584 -0.071 0.000 1.176 371 A CA 1.873 53.865 52.037 -0.075 0.000 0.631 371 A CB -0.710 18.279 19.000 -0.018 0.000 0.814 371 A HN 0.371 nan 8.150 nan 0.000 0.446 372 R N -0.503 119.968 120.500 -0.049 0.000 2.073 372 R HA -0.168 4.172 4.340 0.001 0.000 0.234 372 R C 2.369 178.641 176.300 -0.046 0.000 1.134 372 R CA 1.841 57.921 56.100 -0.033 0.000 0.952 372 R CB -0.326 29.963 30.300 -0.017 0.000 0.850 372 R HN 0.699 nan 8.270 nan 0.000 0.433 373 Q N -0.265 119.497 119.800 -0.063 0.000 2.119 373 Q HA -0.102 4.238 4.340 0.001 0.000 0.201 373 Q C 2.207 178.144 176.000 -0.105 0.000 0.972 373 Q CA 1.508 57.277 55.803 -0.057 0.000 0.847 373 Q CB 0.088 28.806 28.738 -0.033 0.000 0.903 373 Q HN 0.229 nan 8.270 nan 0.000 0.433 374 V N 1.394 121.165 119.914 -0.237 0.000 2.343 374 V HA -0.271 3.849 4.120 0.001 0.000 0.247 374 V C 2.225 178.247 176.094 -0.120 0.000 1.051 374 V CA 2.110 64.226 62.300 -0.307 0.000 1.036 374 V CB -0.563 30.954 31.823 -0.511 0.000 0.654 374 V HN 0.426 nan 8.190 nan 0.000 0.451 375 E N 0.460 120.611 120.200 -0.083 0.000 2.118 375 E HA -0.227 4.123 4.350 0.001 0.000 0.195 375 E C 2.079 178.674 176.600 -0.008 0.000 0.992 375 E CA 1.346 57.729 56.400 -0.028 0.000 0.804 375 E CB -0.234 29.460 29.700 -0.010 0.000 0.741 375 E HN 0.579 nan 8.360 nan 0.000 0.458 376 A N 0.497 123.311 122.820 -0.010 0.000 2.172 376 A HA -0.030 4.291 4.320 0.001 0.000 0.216 376 A C 1.962 179.558 177.584 0.020 0.000 1.154 376 A CA 0.470 52.511 52.037 0.008 0.000 0.701 376 A CB -0.249 18.757 19.000 0.009 0.000 0.789 376 A HN 0.338 nan 8.150 nan 0.000 0.465 377 L N -0.302 120.935 121.223 0.023 0.000 2.509 377 L HA 0.169 4.510 4.340 0.001 0.000 0.222 377 L C 0.049 176.945 176.870 0.043 0.000 1.123 377 L CA -0.149 54.721 54.840 0.049 0.000 0.856 377 L CB -0.083 42.030 42.059 0.090 0.000 0.985 377 L HN 0.302 nan 8.230 nan 0.000 0.456 378 L N 0.846 122.086 121.223 0.027 0.000 2.410 378 L HA 0.114 4.454 4.340 0.001 0.000 0.273 378 L C 0.581 177.465 176.870 0.023 0.000 1.144 378 L CA 0.145 54.998 54.840 0.023 0.000 0.863 378 L CB 0.393 42.461 42.059 0.014 0.000 1.140 378 L HN 0.161 nan 8.230 nan 0.000 0.463 379 T N -0.241 114.327 114.554 0.024 0.000 2.907 379 T HA 0.436 4.787 4.350 0.001 0.000 0.290 379 T C -2.267 172.441 174.700 0.014 0.000 1.066 379 T CA -2.022 60.090 62.100 0.019 0.000 1.012 379 T CB 2.146 71.028 68.868 0.023 0.000 1.184 379 T HN 0.192 nan 8.240 nan 0.000 0.522 380 P HA 0.045 nan 4.420 nan 0.000 0.229 380 P C 0.634 177.939 177.300 0.008 0.000 1.150 380 P CA 0.788 63.889 63.100 0.002 0.000 0.765 380 P CB -0.040 31.658 31.700 -0.003 0.000 0.783 381 N N -1.763 116.947 118.700 0.016 0.000 2.214 381 N HA 0.039 4.779 4.740 0.001 0.000 0.214 381 N C -0.449 175.085 175.510 0.039 0.000 1.132 381 N CA 0.126 53.191 53.050 0.024 0.000 0.856 381 N CB 0.087 38.587 38.487 0.021 0.000 1.020 381 N HN -0.137 nan 8.380 nan 0.000 0.509 382 T N -0.413 114.162 114.554 0.036 0.000 2.902 382 T HA 0.444 4.795 4.350 0.001 0.000 0.283 382 T C -0.474 174.249 174.700 0.038 0.000 1.009 382 T CA -0.203 61.922 62.100 0.042 0.000 1.051 382 T CB 1.643 70.531 68.868 0.034 0.000 0.999 382 T HN -0.088 nan 8.240 nan 0.000 0.474 383 T N 2.121 116.696 114.554 0.035 0.000 2.841 383 T HA 0.488 4.838 4.350 0.001 0.000 0.285 383 T C -0.542 174.106 174.700 -0.087 0.000 0.991 383 T CA -0.518 61.558 62.100 -0.041 0.000 0.966 383 T CB 1.203 70.023 68.868 -0.080 0.000 0.962 383 T HN 0.328 nan 8.240 nan 0.000 0.438 384 V N 5.099 124.946 119.914 -0.113 0.000 2.350 384 V HA 0.398 4.519 4.120 0.001 0.000 0.276 384 V C -0.089 175.911 176.094 -0.156 0.000 1.028 384 V CA -0.934 61.307 62.300 -0.097 0.000 0.860 384 V CB 1.022 32.798 31.823 -0.077 0.000 0.990 384 V HN 0.724 nan 8.190 nan 0.000 0.453 385 I N 4.508 125.001 120.570 -0.128 0.000 2.312 385 I HA 0.512 4.683 4.170 0.001 0.000 0.291 385 I C 0.574 176.710 176.117 0.032 0.000 1.031 385 I CA -0.096 61.147 61.300 -0.096 0.000 1.293 385 I CB 1.063 38.939 38.000 -0.206 0.000 1.403 385 I HN 0.673 nan 8.210 nan 0.000 0.484 386 A N 5.834 128.739 122.820 0.143 0.000 2.267 386 A HA 0.515 4.835 4.320 0.001 0.000 0.315 386 A C 0.009 177.921 177.584 0.547 0.000 1.297 386 A CA -0.594 51.598 52.037 0.259 0.000 0.865 386 A CB 0.684 19.777 19.000 0.154 0.000 1.165 386 A HN 0.658 nan 8.150 nan 0.000 0.513 387 E N 1.796 122.237 120.200 0.402 0.000 2.390 387 E HA 0.332 4.683 4.350 0.001 0.000 0.261 387 E C 0.140 176.818 176.600 0.130 0.000 1.076 387 E CA 0.192 56.816 56.400 0.374 0.000 0.905 387 E CB 0.507 30.328 29.700 0.201 0.000 0.984 387 E HN 0.554 nan 8.360 nan 0.000 0.427 388 T N 2.811 117.319 114.554 -0.076 0.000 2.905 388 T HA 0.468 4.818 4.350 0.001 0.000 0.299 388 T C 0.273 174.587 174.700 -0.643 0.000 1.024 388 T CA 0.907 62.457 62.100 -0.917 0.000 1.151 388 T CB -0.050 68.490 68.868 -0.546 0.000 0.987 388 T HN 0.741 nan 8.240 nan 0.000 0.535 389 G N 2.990 111.312 108.800 -0.796 0.000 2.315 389 G HA2 -0.056 3.905 3.960 0.001 0.000 0.296 389 G HA3 -0.056 3.905 3.960 0.001 0.000 0.296 389 G C 0.196 175.064 174.900 -0.053 0.000 1.289 389 G CA -0.117 44.816 45.100 -0.278 0.000 0.996 389 G HN 0.521 nan 8.290 nan 0.000 0.487 390 D N -0.182 120.267 120.400 0.082 0.000 2.309 390 D HA 0.020 4.661 4.640 0.001 0.000 0.212 390 D C 2.465 178.923 176.300 0.264 0.000 0.968 390 D CA 1.784 55.918 54.000 0.224 0.000 0.882 390 D CB -0.029 40.840 40.800 0.114 0.000 0.918 390 D HN 0.272 nan 8.370 nan 0.000 0.503 391 S N -0.436 115.366 115.700 0.170 0.000 2.419 391 S HA -0.145 4.326 4.470 0.001 0.000 0.235 391 S C 1.411 176.221 174.600 0.349 0.000 1.019 391 S CA 0.450 58.774 58.200 0.206 0.000 0.982 391 S CB -0.234 63.065 63.200 0.164 0.000 0.789 391 S HN 0.450 nan 8.310 nan 0.000 0.490 392 W N 1.336 122.694 121.300 0.097 0.000 2.317 392 W HA -0.082 4.579 4.660 0.001 0.000 0.318 392 W C 1.817 178.270 176.519 -0.110 0.000 1.227 392 W CA 0.568 57.870 57.345 -0.073 0.000 1.269 392 W CB -1.366 27.779 29.460 -0.525 0.000 1.155 392 W HN 0.344 nan 8.180 nan 0.000 0.484 393 F N 0.106 120.248 119.950 0.320 0.000 2.234 393 F HA -0.139 4.389 4.527 0.001 0.000 0.296 393 F C 2.233 178.138 175.800 0.175 0.000 1.089 393 F CA 1.177 59.303 58.000 0.209 0.000 1.343 393 F CB -1.169 37.879 39.000 0.081 0.000 1.040 393 F HN -0.177 nan 8.300 nan 0.000 0.498 394 N N 0.739 119.626 118.700 0.312 0.000 2.069 394 N HA -0.174 4.567 4.740 0.001 0.000 0.191 394 N C 2.092 177.699 175.510 0.162 0.000 1.031 394 N CA 1.526 54.688 53.050 0.187 0.000 0.852 394 N CB -0.750 37.810 38.487 0.121 0.000 1.018 394 N HN 0.280 nan 8.380 nan 0.000 0.423 395 A N 0.884 123.813 122.820 0.181 0.000 1.908 395 A HA -0.200 4.120 4.320 0.001 0.000 0.218 395 A C 2.208 179.893 177.584 0.168 0.000 1.181 395 A CA 1.652 53.767 52.037 0.131 0.000 0.627 395 A CB -0.706 18.351 19.000 0.095 0.000 0.818 395 A HN 0.272 nan 8.150 nan 0.000 0.445 396 Q N -0.095 119.858 119.800 0.255 0.000 2.226 396 Q HA -0.086 4.254 4.340 0.001 0.000 0.204 396 Q C 1.868 178.068 176.000 0.333 0.000 0.975 396 Q CA 1.568 57.529 55.803 0.264 0.000 0.866 396 Q CB -0.249 28.648 28.738 0.266 0.000 0.915 396 Q HN 0.678 nan 8.270 nan 0.000 0.440 397 R N -1.091 119.578 120.500 0.282 0.000 2.310 397 R HA 0.192 4.533 4.340 0.001 0.000 0.202 397 R C -0.018 176.400 176.300 0.197 0.000 0.933 397 R CA -0.015 56.229 56.100 0.240 0.000 1.054 397 R CB 0.155 30.532 30.300 0.130 0.000 0.985 397 R HN 0.269 nan 8.270 nan 0.000 0.489 398 M N 1.234 120.941 119.600 0.179 0.000 2.180 398 M HA 0.152 4.632 4.480 0.001 0.000 0.358 398 M C -0.059 176.332 176.300 0.153 0.000 1.233 398 M CA -0.520 54.853 55.300 0.121 0.000 1.114 398 M CB 1.365 34.003 32.600 0.063 0.000 1.594 398 M HN -0.326 nan 8.290 nan 0.000 0.467 399 K N 3.872 124.353 120.400 0.135 0.000 2.339 399 K HA 0.385 4.705 4.320 0.001 0.000 0.286 399 K C -1.386 175.264 176.600 0.082 0.000 1.050 399 K CA 0.063 56.436 56.287 0.143 0.000 0.956 399 K CB 0.336 32.916 32.500 0.132 0.000 0.990 399 K HN 0.615 nan 8.250 nan 0.000 0.475 400 L N 7.755 129.016 121.223 0.063 0.000 2.264 400 L HA 0.421 4.762 4.340 0.001 0.000 0.289 400 L C -1.988 174.885 176.870 0.006 0.000 1.044 400 L CA -2.480 52.370 54.840 0.017 0.000 0.807 400 L CB 1.311 43.360 42.059 -0.015 0.000 1.192 400 L HN 0.579 nan 8.230 nan 0.000 0.425 401 P HA 0.018 nan 4.420 nan 0.000 0.269 401 P C -0.730 176.556 177.300 -0.023 0.000 1.209 401 P CA -0.323 62.775 63.100 -0.002 0.000 0.776 401 P CB 0.330 32.032 31.700 0.003 0.000 0.876 402 N N 1.559 120.237 118.700 -0.036 0.000 2.359 402 N HA 0.220 4.961 4.740 0.001 0.000 0.261 402 N C 1.600 177.084 175.510 -0.043 0.000 1.267 402 N CA 1.808 54.823 53.050 -0.059 0.000 0.864 402 N CB -0.294 38.151 38.487 -0.070 0.000 1.063 402 N HN 0.745 nan 8.380 nan 0.000 0.474 403 G N 0.216 108.989 108.800 -0.045 0.000 2.284 403 G HA2 -0.197 3.764 3.960 0.001 0.000 0.216 403 G HA3 -0.197 3.764 3.960 0.001 0.000 0.216 403 G C 0.235 175.129 174.900 -0.009 0.000 1.009 403 G CA 0.061 45.146 45.100 -0.026 0.000 0.625 403 G HN 0.896 nan 8.290 nan 0.000 0.501 404 A N 1.221 124.034 122.820 -0.011 0.000 2.462 404 A HA 0.676 4.997 4.320 0.001 0.000 0.243 404 A C 0.611 178.192 177.584 -0.005 0.000 1.076 404 A CA 0.355 52.390 52.037 -0.003 0.000 0.773 404 A CB 0.312 19.308 19.000 -0.006 0.000 1.010 404 A HN 0.426 nan 8.150 nan 0.000 0.493 405 R N 1.003 121.502 120.500 -0.001 0.000 2.711 405 R HA 0.636 4.977 4.340 0.001 0.000 0.284 405 R C -1.313 174.941 176.300 -0.076 0.000 0.968 405 R CA -0.723 55.374 56.100 -0.004 0.000 0.924 405 R CB 1.585 31.914 30.300 0.048 0.000 1.162 405 R HN 0.422 nan 8.270 nan 0.000 0.465 406 V N 2.206 122.047 119.914 -0.122 0.000 2.540 406 V HA 0.316 4.436 4.120 0.001 0.000 0.302 406 V C -0.263 175.668 176.094 -0.272 0.000 1.035 406 V CA -0.830 61.310 62.300 -0.268 0.000 0.873 406 V CB 2.246 33.819 31.823 -0.417 0.000 0.992 406 V HN 0.533 nan 8.190 nan 0.000 0.428 407 E N 3.281 123.324 120.200 -0.262 0.000 2.145 407 E HA 0.494 4.845 4.350 0.001 0.000 0.270 407 E C -1.613 174.967 176.600 -0.034 0.000 0.906 407 E CA -0.406 55.949 56.400 -0.075 0.000 0.761 407 E CB 2.082 31.800 29.700 0.030 0.000 1.116 407 E HN 0.528 nan 8.360 nan 0.000 0.408 408 Y N 0.431 120.707 120.300 -0.040 0.000 2.485 408 Y HA 0.227 4.778 4.550 0.001 0.000 0.345 408 Y C 0.745 176.390 175.900 -0.425 0.000 0.998 408 Y CA -0.886 57.087 58.100 -0.211 0.000 1.059 408 Y CB 1.747 39.960 38.460 -0.412 0.000 1.234 408 Y HN 0.408 nan 8.280 nan 0.000 0.461 409 E N 3.459 123.389 120.200 -0.449 0.000 3.351 409 E HA 0.196 4.546 4.350 0.001 0.000 0.220 409 E C 0.192 176.683 176.600 -0.181 0.000 1.150 409 E CA 0.059 56.086 56.400 -0.622 0.000 1.359 409 E CB 0.143 28.927 29.700 -1.528 0.000 1.365 409 E HN 0.824 nan 8.360 nan 0.000 0.434 410 M N 0.376 119.823 119.600 -0.255 0.000 2.562 410 M HA -0.077 4.404 4.480 0.001 0.000 0.257 410 M C 1.873 178.123 176.300 -0.082 0.000 1.099 410 M CA 0.828 55.927 55.300 -0.334 0.000 1.099 410 M CB 0.282 32.325 32.600 -0.928 0.000 1.427 410 M HN 0.147 nan 8.290 nan 0.000 0.489 411 Q N -0.003 119.778 119.800 -0.032 0.000 2.200 411 Q HA -0.086 4.255 4.340 0.001 0.000 0.197 411 Q C 1.786 177.899 176.000 0.189 0.000 0.953 411 Q CA 1.435 57.267 55.803 0.049 0.000 0.851 411 Q CB -0.261 28.506 28.738 0.048 0.000 0.938 411 Q HN 0.613 nan 8.270 nan 0.000 0.488 412 W N 0.471 121.759 121.300 -0.021 0.000 2.444 412 W HA 0.091 4.751 4.660 0.001 0.000 0.308 412 W C 0.552 177.118 176.519 0.077 0.000 1.183 412 W CA 1.434 58.803 57.345 0.040 0.000 1.340 412 W CB 0.006 29.506 29.460 0.066 0.000 1.138 412 W HN 0.379 nan 8.180 nan 0.000 0.510 413 G N 1.207 110.140 108.800 0.222 0.000 2.272 413 G HA2 -0.322 3.639 3.960 0.001 0.000 0.280 413 G HA3 -0.322 3.639 3.960 0.001 0.000 0.280 413 G C -0.201 174.734 174.900 0.058 0.000 1.067 413 G CA 0.331 45.544 45.100 0.189 0.000 0.902 413 G HN 0.569 nan 8.290 nan 0.000 0.500 414 H N 0.877 119.962 119.070 0.025 0.000 2.846 414 H HA 0.387 4.943 4.556 0.001 0.000 0.278 414 H C 1.412 176.777 175.328 0.062 0.000 1.117 414 H CA -0.163 55.909 56.048 0.040 0.000 1.406 414 H CB 0.073 30.018 29.762 0.306 0.000 1.445 414 H HN 0.632 nan 8.280 nan 0.000 0.469 415 I N 1.283 121.839 120.570 -0.024 0.000 2.752 415 I HA 0.220 4.391 4.170 0.001 0.000 0.287 415 I C 1.198 177.437 176.117 0.204 0.000 1.188 415 I CA 0.823 62.149 61.300 0.044 0.000 1.427 415 I CB 0.597 38.533 38.000 -0.107 0.000 1.365 415 I HN 0.750 nan 8.210 nan 0.000 0.585 416 G N 4.657 113.567 108.800 0.184 0.000 2.241 416 G HA2 -0.340 3.621 3.960 0.001 0.000 0.244 416 G HA3 -0.340 3.621 3.960 0.001 0.000 0.244 416 G C 0.401 175.342 174.900 0.069 0.000 0.998 416 G CA 0.503 45.698 45.100 0.158 0.000 0.621 416 G HN 1.106 nan 8.290 nan 0.000 0.519 417 W N 2.805 123.983 121.300 -0.204 0.000 2.321 417 W HA -0.146 4.514 4.660 0.001 0.000 0.306 417 W C 2.555 178.918 176.519 -0.260 0.000 1.217 417 W CA 3.503 60.455 57.345 -0.655 0.000 1.257 417 W CB -0.575 28.488 29.460 -0.662 0.000 1.145 417 W HN 0.714 nan 8.180 nan 0.000 0.509 418 S N 0.084 115.556 115.700 -0.380 0.000 2.400 418 S HA -0.245 4.226 4.470 0.001 0.000 0.232 418 S C 1.696 176.004 174.600 -0.487 0.000 1.025 418 S CA 1.826 59.575 58.200 -0.751 0.000 0.993 418 S CB -1.154 61.945 63.200 -0.168 0.000 0.808 418 S HN 0.216 nan 8.310 nan 0.000 0.478 419 V N 3.564 123.340 119.914 -0.229 0.000 2.244 419 V HA -0.030 4.090 4.120 0.001 0.000 0.244 419 V C -0.128 175.911 176.094 -0.091 0.000 1.042 419 V CA 1.795 64.038 62.300 -0.095 0.000 1.006 419 V CB -1.606 30.184 31.823 -0.055 0.000 0.641 419 V HN 0.431 nan 8.190 nan 0.000 0.446 420 P HA -0.074 nan 4.420 nan 0.000 0.219 420 P C 1.561 178.840 177.300 -0.035 0.000 1.150 420 P CA 1.889 65.001 63.100 0.020 0.000 0.814 420 P CB 0.011 31.762 31.700 0.085 0.000 0.787 421 A N 0.959 123.593 122.820 -0.310 0.000 1.902 421 A HA -0.052 4.269 4.320 0.001 0.000 0.217 421 A C 2.504 179.965 177.584 -0.205 0.000 1.181 421 A CA 2.124 53.938 52.037 -0.371 0.000 0.623 421 A CB -1.543 16.818 19.000 -1.064 0.000 0.818 421 A HN 0.218 nan 8.150 nan 0.000 0.443 422 A N -1.104 121.573 122.820 -0.238 0.000 1.933 422 A HA -0.016 4.305 4.320 0.001 0.000 0.218 422 A C 2.004 179.643 177.584 0.092 0.000 1.175 422 A CA 1.610 53.604 52.037 -0.072 0.000 0.628 422 A CB -0.696 18.257 19.000 -0.079 0.000 0.814 422 A HN 0.714 nan 8.150 nan 0.000 0.444 423 F N 1.269 121.197 119.950 -0.036 0.000 2.046 423 F HA -0.044 4.483 4.527 0.001 0.000 0.297 423 F C 2.295 178.138 175.800 0.071 0.000 1.123 423 F CA 1.681 59.691 58.000 0.016 0.000 1.199 423 F CB -0.963 38.032 39.000 -0.007 0.000 0.972 423 F HN 0.174 nan 8.300 nan 0.000 0.474 424 G N -1.347 107.327 108.800 -0.211 0.000 2.418 424 G HA2 -0.355 3.605 3.960 0.001 0.000 0.217 424 G HA3 -0.355 3.605 3.960 0.001 0.000 0.217 424 G C 1.660 176.567 174.900 0.012 0.000 1.158 424 G CA 0.973 45.928 45.100 -0.242 0.000 0.771 424 G HN 0.527 nan 8.290 nan 0.000 0.545 425 Y N 1.876 122.125 120.300 -0.085 0.000 2.145 425 Y HA -0.008 4.542 4.550 0.001 0.000 0.286 425 Y C 2.964 178.806 175.900 -0.097 0.000 1.145 425 Y CA 1.578 59.632 58.100 -0.078 0.000 1.148 425 Y CB -0.287 38.137 38.460 -0.060 0.000 0.981 425 Y HN 0.247 nan 8.280 nan 0.000 0.507 426 A N -0.906 121.969 122.820 0.093 0.000 1.972 426 A HA -0.151 4.170 4.320 0.001 0.000 0.219 426 A C 2.285 179.803 177.584 -0.110 0.000 1.169 426 A CA 1.849 53.900 52.037 0.024 0.000 0.635 426 A CB -1.239 17.808 19.000 0.077 0.000 0.810 426 A HN 0.349 nan 8.150 nan 0.000 0.446 427 V N -0.483 119.309 119.914 -0.204 0.000 2.427 427 V HA -0.130 3.991 4.120 0.001 0.000 0.248 427 V C 2.633 178.568 176.094 -0.264 0.000 1.051 427 V CA 1.894 64.020 62.300 -0.290 0.000 1.048 427 V CB -0.964 30.595 31.823 -0.440 0.000 0.666 427 V HN 0.618 nan 8.190 nan 0.000 0.456 428 G N -0.978 107.660 108.800 -0.270 0.000 2.551 428 G HA2 0.256 4.216 3.960 0.001 0.000 0.216 428 G HA3 0.256 4.216 3.960 0.001 0.000 0.216 428 G C 0.719 175.366 174.900 -0.422 0.000 1.137 428 G CA 0.751 45.547 45.100 -0.506 0.000 0.798 428 G HN 0.637 nan 8.290 nan 0.000 0.536 429 A N 0.430 123.014 122.820 -0.394 0.000 3.355 429 A HA 0.637 4.958 4.320 0.001 0.000 0.290 429 A C -1.605 175.894 177.584 -0.142 0.000 0.973 429 A CA -0.721 51.130 52.037 -0.310 0.000 0.933 429 A CB 0.971 19.668 19.000 -0.506 0.000 1.138 429 A HN 0.043 nan 8.150 nan 0.000 0.490 430 P HA -0.162 nan 4.420 nan 0.000 0.222 430 P C 1.309 178.603 177.300 -0.009 0.000 1.147 430 P CA 1.215 64.296 63.100 -0.031 0.000 0.790 430 P CB 0.257 31.947 31.700 -0.018 0.000 0.780 431 E N 0.577 120.765 120.200 -0.021 0.000 2.347 431 E HA -0.091 4.259 4.350 0.001 0.000 0.196 431 E C 0.508 177.113 176.600 0.009 0.000 1.008 431 E CA 0.508 56.904 56.400 -0.007 0.000 0.852 431 E CB -0.263 29.427 29.700 -0.017 0.000 0.783 431 E HN 0.275 nan 8.360 nan 0.000 0.505 432 R N 0.969 121.481 120.500 0.020 0.000 2.532 432 R HA 0.339 4.679 4.340 0.001 0.000 0.272 432 R C 0.356 176.695 176.300 0.064 0.000 1.032 432 R CA -0.739 55.392 56.100 0.052 0.000 1.089 432 R CB 1.033 31.391 30.300 0.096 0.000 1.098 432 R HN -0.024 nan 8.270 nan 0.000 0.526 433 R N 2.254 122.792 120.500 0.063 0.000 2.291 433 R HA 0.042 4.382 4.340 0.001 0.000 0.333 433 R C -0.914 175.433 176.300 0.078 0.000 1.082 433 R CA -0.104 56.034 56.100 0.064 0.000 0.948 433 R CB 0.169 30.503 30.300 0.057 0.000 1.009 433 R HN 0.490 nan 8.270 nan 0.000 0.460 434 N N 6.119 124.869 118.700 0.083 0.000 2.437 434 N HA 0.251 4.991 4.740 0.001 0.000 0.259 434 N C -0.623 174.923 175.510 0.061 0.000 0.983 434 N CA -0.210 52.891 53.050 0.085 0.000 0.937 434 N CB 1.448 40.012 38.487 0.127 0.000 1.122 434 N HN 0.519 nan 8.380 nan 0.000 0.499 435 I N 2.100 122.703 120.570 0.055 0.000 2.441 435 I HA 0.307 4.477 4.170 0.001 0.000 0.295 435 I C -0.487 175.673 176.117 0.072 0.000 0.994 435 I CA -1.001 60.360 61.300 0.102 0.000 1.144 435 I CB 1.863 39.975 38.000 0.186 0.000 1.314 435 I HN 0.168 nan 8.210 nan 0.000 0.445 436 L N 7.470 128.750 121.223 0.094 0.000 2.325 436 L HA 0.549 4.889 4.340 0.001 0.000 0.281 436 L C -1.009 175.958 176.870 0.161 0.000 1.004 436 L CA -0.225 54.658 54.840 0.072 0.000 0.823 436 L CB 1.416 43.494 42.059 0.032 0.000 1.236 436 L HN 0.565 nan 8.230 nan 0.000 0.415 437 M N 6.136 125.823 119.600 0.144 0.000 2.044 437 M HA 0.472 4.953 4.480 0.001 0.000 0.333 437 M C -1.385 174.987 176.300 0.120 0.000 1.004 437 M CA -0.490 54.905 55.300 0.159 0.000 0.954 437 M CB 1.516 34.190 32.600 0.123 0.000 1.468 437 M HN 0.521 nan 8.290 nan 0.000 0.414 438 V N 3.769 123.736 119.914 0.088 0.000 2.709 438 V HA 0.854 4.975 4.120 0.001 0.000 0.308 438 V C -0.039 176.055 176.094 -0.000 0.000 1.062 438 V CA -0.327 62.016 62.300 0.072 0.000 0.901 438 V CB 2.172 34.068 31.823 0.123 0.000 1.003 438 V HN 0.866 nan 8.190 nan 0.000 0.425 439 G N 3.459 112.261 108.800 0.004 0.000 2.572 439 G HA2 0.307 4.267 3.960 0.001 0.000 0.261 439 G HA3 0.307 4.267 3.960 0.001 0.000 0.261 439 G C 0.633 175.474 174.900 -0.098 0.000 1.197 439 G CA 0.402 45.473 45.100 -0.048 0.000 0.870 439 G HN 0.945 nan 8.290 nan 0.000 0.548 440 D N 0.424 120.703 120.400 -0.203 0.000 2.117 440 D HA -0.121 4.520 4.640 0.001 0.000 0.197 440 D C 2.215 178.460 176.300 -0.091 0.000 0.987 440 D CA 1.496 55.285 54.000 -0.352 0.000 0.829 440 D CB -0.992 39.581 40.800 -0.379 0.000 0.961 440 D HN 0.479 nan 8.370 nan 0.000 0.460 441 G N 0.111 108.940 108.800 0.047 0.000 2.418 441 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 441 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 441 G C 1.860 176.861 174.900 0.169 0.000 1.158 441 G CA 1.128 46.368 45.100 0.233 0.000 0.771 441 G HN 0.374 nan 8.290 nan 0.000 0.545 442 S N 0.209 115.967 115.700 0.096 0.000 2.368 442 S HA -0.043 4.427 4.470 0.001 0.000 0.224 442 S C 1.877 176.542 174.600 0.108 0.000 1.029 442 S CA 0.757 59.002 58.200 0.075 0.000 0.988 442 S CB -0.378 62.861 63.200 0.065 0.000 0.838 442 S HN 0.363 nan 8.310 nan 0.000 0.462 443 F N 2.654 122.577 119.950 -0.045 0.000 2.154 443 F HA -0.197 4.330 4.527 0.001 0.000 0.301 443 F C 2.311 178.119 175.800 0.014 0.000 1.087 443 F CA 1.523 59.507 58.000 -0.027 0.000 1.274 443 F CB -0.387 38.543 39.000 -0.117 0.000 1.009 443 F HN 0.222 nan 8.300 nan 0.000 0.485 444 Q N -0.401 119.382 119.800 -0.028 0.000 2.291 444 Q HA -0.158 4.182 4.340 0.001 0.000 0.205 444 Q C 2.062 178.106 176.000 0.073 0.000 0.970 444 Q CA 1.113 56.832 55.803 -0.139 0.000 0.876 444 Q CB -0.195 28.360 28.738 -0.304 0.000 0.935 444 Q HN 0.417 nan 8.270 nan 0.000 0.455 445 L N -0.291 120.972 121.223 0.068 0.000 2.156 445 L HA -0.094 4.247 4.340 0.001 0.000 0.208 445 L C 1.925 178.864 176.870 0.115 0.000 1.095 445 L CA 1.693 56.609 54.840 0.127 0.000 0.770 445 L CB 0.037 42.194 42.059 0.163 0.000 0.914 445 L HN 0.266 nan 8.230 nan 0.000 0.439 446 T N -5.996 108.569 114.554 0.018 0.000 3.262 446 T HA 0.359 4.709 4.350 0.001 0.000 0.300 446 T C 1.488 176.092 174.700 -0.159 0.000 0.959 446 T CA 0.212 62.305 62.100 -0.010 0.000 0.936 446 T CB 0.082 68.969 68.868 0.031 0.000 1.169 446 T HN 0.045 nan 8.240 nan 0.000 0.532 447 A N 2.902 125.550 122.820 -0.286 0.000 1.971 447 A HA -0.264 4.056 4.320 0.001 0.000 0.222 447 A C 2.478 179.961 177.584 -0.168 0.000 1.182 447 A CA 2.124 53.829 52.037 -0.553 0.000 0.649 447 A CB -0.697 18.131 19.000 -0.288 0.000 0.818 447 A HN 0.727 nan 8.150 nan 0.000 0.458 448 Q N -0.667 119.089 119.800 -0.073 0.000 2.291 448 Q HA -0.210 4.130 4.340 0.001 0.000 0.206 448 Q C 1.302 177.025 176.000 -0.462 0.000 0.976 448 Q CA 1.799 57.449 55.803 -0.254 0.000 0.875 448 Q CB -0.485 28.188 28.738 -0.107 0.000 0.927 448 Q HN 0.597 nan 8.270 nan 0.000 0.450 449 E N 0.898 120.912 120.200 -0.310 0.000 2.409 449 E HA -0.035 4.316 4.350 0.001 0.000 0.198 449 E C 1.861 178.214 176.600 -0.412 0.000 1.024 449 E CA 0.377 56.556 56.400 -0.368 0.000 0.861 449 E CB -0.108 29.445 29.700 -0.244 0.000 0.788 449 E HN 0.234 nan 8.360 nan 0.000 0.521 450 V N 0.267 119.999 119.914 -0.304 0.000 2.490 450 V HA -0.286 3.834 4.120 0.001 0.000 0.250 450 V C 2.220 178.134 176.094 -0.300 0.000 1.061 450 V CA 1.647 63.861 62.300 -0.143 0.000 1.064 450 V CB -0.782 31.160 31.823 0.200 0.000 0.670 450 V HN 0.384 nan 8.190 nan 0.000 0.461 451 A N -0.645 121.727 122.820 -0.747 0.000 1.978 451 A HA -0.234 4.087 4.320 0.001 0.000 0.220 451 A C 2.181 179.574 177.584 -0.318 0.000 1.170 451 A CA 1.507 53.190 52.037 -0.590 0.000 0.636 451 A CB -0.330 18.184 19.000 -0.810 0.000 0.810 451 A HN 0.550 nan 8.150 nan 0.000 0.448 452 Q N -0.716 118.815 119.800 -0.448 0.000 2.172 452 Q HA -0.019 4.321 4.340 0.001 0.000 0.200 452 Q C 2.097 177.949 176.000 -0.247 0.000 0.964 452 Q CA 1.272 56.785 55.803 -0.484 0.000 0.855 452 Q CB -0.476 27.617 28.738 -1.075 0.000 0.918 452 Q HN 0.797 nan 8.270 nan 0.000 0.444 453 M N -0.070 119.424 119.600 -0.177 0.000 2.117 453 M HA -0.150 4.330 4.480 0.001 0.000 0.262 453 M C 2.253 178.618 176.300 0.107 0.000 1.065 453 M CA 1.183 56.569 55.300 0.143 0.000 1.114 453 M CB -0.416 32.273 32.600 0.148 0.000 1.361 453 M HN -0.042 nan 8.290 nan 0.000 0.408 454 V N 0.190 120.134 119.914 0.051 0.000 2.295 454 V HA -0.281 3.839 4.120 0.001 0.000 0.246 454 V C 2.415 178.552 176.094 0.070 0.000 1.049 454 V CA 1.992 64.337 62.300 0.074 0.000 1.024 454 V CB -0.878 31.001 31.823 0.093 0.000 0.648 454 V HN 0.472 nan 8.190 nan 0.000 0.447 455 R N -0.016 120.512 120.500 0.046 0.000 2.083 455 R HA -0.121 4.219 4.340 0.001 0.000 0.237 455 R C 1.852 178.208 176.300 0.093 0.000 1.137 455 R CA 1.623 57.759 56.100 0.061 0.000 0.951 455 R CB -0.171 30.151 30.300 0.038 0.000 0.851 455 R HN 0.457 nan 8.270 nan 0.000 0.434 456 L N 0.909 122.213 121.223 0.135 0.000 2.653 456 L HA 0.165 4.506 4.340 0.001 0.000 0.231 456 L C -0.074 176.865 176.870 0.115 0.000 1.153 456 L CA 0.073 54.999 54.840 0.143 0.000 0.933 456 L CB 0.047 42.231 42.059 0.209 0.000 1.175 456 L HN 0.177 nan 8.230 nan 0.000 0.473 457 K N 0.873 121.334 120.400 0.103 0.000 3.148 457 K HA -0.168 4.153 4.320 0.001 0.000 0.267 457 K C -0.514 176.136 176.600 0.084 0.000 0.996 457 K CA 0.465 56.802 56.287 0.084 0.000 0.737 457 K CB -1.767 30.772 32.500 0.066 0.000 1.308 457 K HN 0.318 nan 8.250 nan 0.000 0.470 458 L N 0.637 121.925 121.223 0.107 0.000 2.276 458 L HA 0.264 4.605 4.340 0.001 0.000 0.286 458 L C -1.617 175.305 176.870 0.086 0.000 1.061 458 L CA -2.258 52.642 54.840 0.100 0.000 0.807 458 L CB 0.726 42.868 42.059 0.138 0.000 1.177 458 L HN -0.124 nan 8.230 nan 0.000 0.429 459 P HA 0.059 nan 4.420 nan 0.000 0.226 459 P C -0.187 177.141 177.300 0.046 0.000 1.758 459 P CA -0.086 63.045 63.100 0.050 0.000 0.896 459 P CB -0.124 31.601 31.700 0.042 0.000 1.784 460 V N 1.566 121.515 119.914 0.059 0.000 2.521 460 V HA 0.031 4.151 4.120 0.001 0.000 0.286 460 V C 0.988 177.083 176.094 0.001 0.000 1.034 460 V CA 0.040 62.370 62.300 0.049 0.000 1.045 460 V CB 0.253 32.123 31.823 0.078 0.000 0.974 460 V HN 0.180 nan 8.190 nan 0.000 0.480 461 I N 6.367 126.918 120.570 -0.033 0.000 2.312 461 I HA 0.362 4.533 4.170 0.001 0.000 0.291 461 I C -0.122 175.855 176.117 -0.234 0.000 1.031 461 I CA 0.026 61.231 61.300 -0.158 0.000 1.293 461 I CB 0.682 38.581 38.000 -0.167 0.000 1.403 461 I HN 0.440 nan 8.210 nan 0.000 0.484 462 I N 6.648 127.041 120.570 -0.294 0.000 2.330 462 I HA 0.265 4.436 4.170 0.001 0.000 0.289 462 I C -0.727 175.149 176.117 -0.401 0.000 1.001 462 I CA -0.441 60.726 61.300 -0.221 0.000 1.193 462 I CB 0.820 38.768 38.000 -0.087 0.000 1.345 462 I HN 0.362 nan 8.210 nan 0.000 0.461 463 F N 6.731 126.656 119.950 -0.042 0.000 2.335 463 F HA 0.238 4.765 4.527 0.001 0.000 0.365 463 F C 0.176 175.901 175.800 -0.127 0.000 1.122 463 F CA -0.517 57.444 58.000 -0.066 0.000 1.151 463 F CB 0.669 39.649 39.000 -0.033 0.000 1.282 463 F HN 0.308 nan 8.300 nan 0.000 0.513 464 L N 6.126 127.285 121.223 -0.106 0.000 2.295 464 L HA 0.325 4.666 4.340 0.001 0.000 0.288 464 L C -0.486 176.237 176.870 -0.246 0.000 1.079 464 L CA -0.281 54.381 54.840 -0.296 0.000 0.830 464 L CB 0.099 41.824 42.059 -0.558 0.000 1.200 464 L HN 0.340 nan 8.230 nan 0.000 0.438 465 I N 5.355 125.815 120.570 -0.183 0.000 2.329 465 I HA 0.098 4.268 4.170 0.001 0.000 0.295 465 I C 0.577 176.562 176.117 -0.221 0.000 1.109 465 I CA -0.098 61.117 61.300 -0.142 0.000 1.297 465 I CB -0.183 37.784 38.000 -0.055 0.000 1.433 465 I HN 0.521 nan 8.210 nan 0.000 0.509 466 N N 6.472 125.000 118.700 -0.287 0.000 2.767 466 N HA 0.074 4.815 4.740 0.001 0.000 0.238 466 N C 0.405 175.850 175.510 -0.109 0.000 1.083 466 N CA -0.212 52.666 53.050 -0.287 0.000 0.964 466 N CB 0.179 38.363 38.487 -0.505 0.000 1.252 466 N HN 0.446 nan 8.380 nan 0.000 0.512 467 N N 2.711 121.400 118.700 -0.018 0.000 2.238 467 N HA -0.005 4.735 4.740 0.001 0.000 0.222 467 N C -0.441 175.157 175.510 0.147 0.000 1.133 467 N CA -0.574 52.513 53.050 0.061 0.000 0.854 467 N CB -0.566 37.942 38.487 0.035 0.000 1.041 467 N HN 0.325 nan 8.380 nan 0.000 0.510 468 Y N 0.537 120.824 120.300 -0.022 0.000 3.057 468 Y HA -0.025 4.525 4.550 0.001 0.000 0.192 468 Y C 0.352 176.220 175.900 -0.053 0.000 1.448 468 Y CA 0.766 58.860 58.100 -0.011 0.000 1.065 468 Y CB -1.302 37.171 38.460 0.022 0.000 1.369 468 Y HN 0.695 nan 8.280 nan 0.000 0.460 469 G N 0.478 109.209 108.800 -0.115 0.000 2.357 469 G HA2 0.179 4.139 3.960 0.001 0.000 0.289 469 G HA3 0.179 4.139 3.960 0.001 0.000 0.289 469 G C -1.447 173.412 174.900 -0.068 0.000 1.302 469 G CA -0.640 44.297 45.100 -0.273 0.000 0.936 469 G HN 0.258 nan 8.290 nan 0.000 0.513 470 Y N 1.972 122.232 120.300 -0.066 0.000 2.636 470 Y HA 0.408 4.958 4.550 0.001 0.000 0.334 470 Y C 2.211 178.094 175.900 -0.028 0.000 1.286 470 Y CA -0.058 58.020 58.100 -0.037 0.000 1.688 470 Y CB -0.149 38.305 38.460 -0.010 0.000 1.662 470 Y HN 0.474 nan 8.280 nan 0.000 0.465 471 T N 1.494 116.113 114.554 0.108 0.000 2.788 471 T HA -0.207 4.144 4.350 0.001 0.000 0.268 471 T C 2.160 176.892 174.700 0.054 0.000 1.044 471 T CA 1.513 63.645 62.100 0.054 0.000 1.139 471 T CB -0.150 68.736 68.868 0.029 0.000 0.867 471 T HN 0.713 nan 8.240 nan 0.000 0.454 472 I N 0.704 121.307 120.570 0.056 0.000 2.226 472 I HA -0.173 3.998 4.170 0.001 0.000 0.245 472 I C 2.408 178.573 176.117 0.081 0.000 1.100 472 I CA 1.695 63.033 61.300 0.064 0.000 1.374 472 I CB -0.045 37.974 38.000 0.032 0.000 1.057 472 I HN 0.108 nan 8.210 nan 0.000 0.413 473 E N 0.197 120.447 120.200 0.084 0.000 2.110 473 E HA -0.168 4.182 4.350 0.001 0.000 0.193 473 E C 2.106 178.776 176.600 0.117 0.000 0.988 473 E CA 1.465 57.931 56.400 0.110 0.000 0.804 473 E CB -0.164 29.625 29.700 0.149 0.000 0.745 473 E HN 0.428 nan 8.360 nan 0.000 0.458 474 V N 0.399 120.366 119.914 0.090 0.000 2.407 474 V HA -0.242 3.878 4.120 0.001 0.000 0.248 474 V C 1.903 178.006 176.094 0.015 0.000 1.055 474 V CA 1.422 63.743 62.300 0.035 0.000 1.049 474 V CB -0.338 31.489 31.823 0.007 0.000 0.662 474 V HN 0.386 nan 8.190 nan 0.000 0.455 475 M N -1.513 118.100 119.600 0.022 0.000 2.595 475 M HA 0.166 4.647 4.480 0.001 0.000 0.248 475 M C 1.731 178.034 176.300 0.005 0.000 1.119 475 M CA 1.136 56.437 55.300 0.001 0.000 1.079 475 M CB -0.557 32.035 32.600 -0.013 0.000 1.472 475 M HN 0.312 nan 8.290 nan 0.000 0.501 476 I N -1.692 118.899 120.570 0.036 0.000 2.681 476 I HA -0.048 4.122 4.170 0.001 0.000 0.247 476 I C 0.394 176.584 176.117 0.122 0.000 1.091 476 I CA 0.494 61.813 61.300 0.032 0.000 1.442 476 I CB 0.288 38.307 38.000 0.032 0.000 1.219 476 I HN 0.219 nan 8.210 nan 0.000 0.451 477 H N 0.185 119.279 119.070 0.040 0.000 3.179 477 H HA 0.284 4.841 4.556 0.001 0.000 0.331 477 H C -1.564 173.846 175.328 0.137 0.000 1.013 477 H CA -0.816 55.273 56.048 0.069 0.000 1.430 477 H CB 1.017 30.820 29.762 0.069 0.000 1.895 477 H HN -0.070 nan 8.280 nan 0.000 0.468 478 D N 2.695 122.882 120.400 -0.355 0.000 2.264 478 D HA 0.621 5.261 4.640 0.001 0.000 0.249 478 D C 0.222 176.282 176.300 -0.399 0.000 1.070 478 D CA 0.861 54.707 54.000 -0.256 0.000 0.912 478 D CB 1.404 42.084 40.800 -0.201 0.000 1.193 478 D HN 0.841 nan 8.370 nan 0.000 0.427 479 G N 1.799 110.275 108.800 -0.540 0.000 2.550 479 G HA2 0.309 4.269 3.960 0.001 0.000 0.293 479 G HA3 0.309 4.269 3.960 0.001 0.000 0.293 479 G C -2.347 171.989 174.900 -0.940 0.000 1.402 479 G CA -0.858 43.672 45.100 -0.950 0.000 0.784 479 G HN 0.263 nan 8.290 nan 0.000 0.482 480 P HA -0.022 nan 4.420 nan 0.000 0.222 480 P C 1.131 178.242 177.300 -0.315 0.000 1.147 480 P CA 1.022 63.886 63.100 -0.392 0.000 0.790 480 P CB -0.143 31.428 31.700 -0.215 0.000 0.780 481 Y N -2.007 118.287 120.300 -0.010 0.000 2.616 481 Y HA 0.111 4.662 4.550 0.001 0.000 0.296 481 Y C 1.389 177.308 175.900 0.032 0.000 1.154 481 Y CA 0.015 58.130 58.100 0.024 0.000 1.325 481 Y CB -1.949 36.553 38.460 0.069 0.000 1.007 481 Y HN -0.086 nan 8.280 nan 0.000 0.542 482 N N 0.233 118.938 118.700 0.008 0.000 2.336 482 N HA -0.024 4.717 4.740 0.001 0.000 0.189 482 N C -0.654 174.637 175.510 -0.365 0.000 1.113 482 N CA 0.190 53.241 53.050 0.001 0.000 0.858 482 N CB -0.126 38.382 38.487 0.034 0.000 0.970 482 N HN 0.343 nan 8.380 nan 0.000 0.471 483 N N 1.203 119.694 118.700 -0.348 0.000 2.498 483 N HA 0.305 5.046 4.740 0.001 0.000 0.287 483 N C 0.229 175.482 175.510 -0.429 0.000 1.097 483 N CA -0.270 52.521 53.050 -0.432 0.000 0.973 483 N CB 1.780 40.070 38.487 -0.328 0.000 1.153 483 N HN 0.177 nan 8.380 nan 0.000 0.472 484 I N -2.600 117.694 120.570 -0.460 0.000 3.108 484 I HA 0.595 4.766 4.170 0.001 0.000 0.312 484 I C -0.178 175.912 176.117 -0.046 0.000 1.095 484 I CA -1.269 59.874 61.300 -0.261 0.000 1.000 484 I CB 1.872 39.695 38.000 -0.296 0.000 1.229 484 I HN 0.066 nan 8.210 nan 0.000 0.454 485 K N 3.026 123.474 120.400 0.079 0.000 2.316 485 K HA 0.190 4.510 4.320 0.001 0.000 0.289 485 K C -0.413 176.344 176.600 0.260 0.000 1.070 485 K CA 0.100 56.516 56.287 0.214 0.000 0.928 485 K CB 0.238 32.886 32.500 0.247 0.000 1.039 485 K HN 0.676 nan 8.250 nan 0.000 0.480 486 N N 3.739 122.641 118.700 0.338 0.000 2.492 486 N HA 0.108 4.849 4.740 0.001 0.000 0.260 486 N C -1.104 174.530 175.510 0.207 0.000 1.215 486 N CA 0.004 53.188 53.050 0.224 0.000 0.923 486 N CB 0.354 38.878 38.487 0.061 0.000 1.092 486 N HN 0.346 nan 8.380 nan 0.000 0.448 487 W N 0.654 121.702 121.300 -0.419 0.000 2.655 487 W HA 0.251 4.911 4.660 0.001 0.000 0.358 487 W C 0.001 176.144 176.519 -0.627 0.000 1.100 487 W CA -0.876 56.106 57.345 -0.606 0.000 1.195 487 W CB 0.071 29.041 29.460 -0.816 0.000 1.403 487 W HN 0.448 nan 8.180 nan 0.000 0.589 488 D N 0.748 121.080 120.400 -0.114 0.000 2.558 488 D HA 0.041 4.681 4.640 0.001 0.000 0.221 488 D C 0.750 177.041 176.300 -0.014 0.000 1.143 488 D CA -0.093 53.883 54.000 -0.040 0.000 1.010 488 D CB -0.319 40.475 40.800 -0.009 0.000 1.068 488 D HN 0.170 nan 8.370 nan 0.000 0.511 489 Y N 1.877 122.269 120.300 0.153 0.000 2.165 489 Y HA -0.206 4.344 4.550 0.001 0.000 0.286 489 Y C 2.542 178.463 175.900 0.035 0.000 1.155 489 Y CA 1.348 59.513 58.100 0.108 0.000 1.164 489 Y CB -0.671 37.738 38.460 -0.086 0.000 0.978 489 Y HN 0.455 nan 8.280 nan 0.000 0.513 490 A N 0.338 123.260 122.820 0.169 0.000 1.908 490 A HA -0.165 4.155 4.320 0.001 0.000 0.218 490 A C 2.577 180.198 177.584 0.063 0.000 1.181 490 A CA 1.900 53.998 52.037 0.101 0.000 0.627 490 A CB -1.525 17.543 19.000 0.113 0.000 0.818 490 A HN 0.489 nan 8.150 nan 0.000 0.445 491 G N -0.823 108.002 108.800 0.043 0.000 2.509 491 G HA2 -0.025 3.935 3.960 0.001 0.000 0.218 491 G HA3 -0.025 3.935 3.960 0.001 0.000 0.218 491 G C 1.331 176.191 174.900 -0.067 0.000 1.124 491 G CA 0.913 46.008 45.100 -0.010 0.000 0.776 491 G HN 0.441 nan 8.290 nan 0.000 0.547 492 L N 0.254 121.441 121.223 -0.061 0.000 2.191 492 L HA 0.044 4.385 4.340 0.001 0.000 0.212 492 L C 2.597 179.287 176.870 -0.301 0.000 1.103 492 L CA 1.248 55.954 54.840 -0.223 0.000 0.769 492 L CB -0.253 41.787 42.059 -0.030 0.000 0.908 492 L HN 0.087 nan 8.230 nan 0.000 0.438 493 M N -0.904 118.664 119.600 -0.053 0.000 2.086 493 M HA -0.160 4.320 4.480 0.001 0.000 0.261 493 M C 2.073 178.385 176.300 0.019 0.000 1.067 493 M CA 1.500 56.828 55.300 0.046 0.000 1.116 493 M CB -1.093 31.554 32.600 0.079 0.000 1.348 493 M HN 0.233 nan 8.290 nan 0.000 0.407 494 E N -0.219 119.970 120.200 -0.017 0.000 2.268 494 E HA -0.066 4.284 4.350 0.001 0.000 0.195 494 E C 2.255 178.836 176.600 -0.031 0.000 0.995 494 E CA 0.668 57.064 56.400 -0.007 0.000 0.836 494 E CB -0.266 29.428 29.700 -0.010 0.000 0.763 494 E HN 0.303 nan 8.360 nan 0.000 0.491 495 V N 0.651 120.491 119.914 -0.123 0.000 2.307 495 V HA -0.211 3.910 4.120 0.001 0.000 0.245 495 V C 1.935 178.017 176.094 -0.019 0.000 1.045 495 V CA 1.414 63.622 62.300 -0.154 0.000 1.024 495 V CB -0.498 31.120 31.823 -0.342 0.000 0.651 495 V HN 0.132 nan 8.190 nan 0.000 0.449 496 F N 0.615 120.589 119.950 0.040 0.000 2.325 496 F HA -0.004 4.524 4.527 0.001 0.000 0.299 496 F C 2.247 178.070 175.800 0.038 0.000 1.090 496 F CA 0.423 58.447 58.000 0.040 0.000 1.392 496 F CB -1.117 37.914 39.000 0.052 0.000 1.053 496 F HN 0.213 nan 8.300 nan 0.000 0.521 497 N N 0.376 119.195 118.700 0.199 0.000 2.106 497 N HA -0.074 4.666 4.740 0.001 0.000 0.188 497 N C 1.845 177.416 175.510 0.102 0.000 1.029 497 N CA 1.515 54.641 53.050 0.127 0.000 0.848 497 N CB -0.789 37.750 38.487 0.086 0.000 1.007 497 N HN 0.265 nan 8.380 nan 0.000 0.423 498 G N 1.160 110.009 108.800 0.083 0.000 2.273 498 G HA2 -0.284 3.677 3.960 0.001 0.000 0.280 498 G HA3 -0.284 3.677 3.960 0.001 0.000 0.280 498 G C -0.336 174.590 174.900 0.044 0.000 1.047 498 G CA -0.051 45.088 45.100 0.065 0.000 0.869 498 G HN 0.282 nan 8.290 nan 0.000 0.502 499 N N 0.410 119.131 118.700 0.034 0.000 2.454 499 N HA 0.400 5.140 4.740 0.001 0.000 0.260 499 N C 1.422 176.934 175.510 0.002 0.000 1.218 499 N CA 1.554 54.617 53.050 0.022 0.000 0.904 499 N CB 0.942 39.442 38.487 0.021 0.000 1.065 499 N HN 1.374 nan 8.380 nan 0.000 0.462 500 G N 0.215 109.011 108.800 -0.007 0.000 2.175 500 G HA2 -0.189 3.771 3.960 0.001 0.000 0.244 500 G HA3 -0.189 3.771 3.960 0.001 0.000 0.244 500 G C 0.547 175.410 174.900 -0.063 0.000 0.982 500 G CA 0.243 45.325 45.100 -0.030 0.000 0.641 500 G HN 0.869 nan 8.290 nan 0.000 0.527 501 G N -1.202 107.566 108.800 -0.053 0.000 2.849 501 G HA2 0.535 4.496 3.960 0.001 0.000 0.174 501 G HA3 0.535 4.496 3.960 0.001 0.000 0.174 501 G C 0.700 175.533 174.900 -0.112 0.000 1.370 501 G CA 0.166 45.196 45.100 -0.117 0.000 1.040 501 G HN 0.098 nan 8.290 nan 0.000 0.582 502 Y N 0.855 121.164 120.300 0.016 0.000 2.224 502 Y HA 0.020 4.571 4.550 0.001 0.000 0.289 502 Y C 1.721 177.631 175.900 0.018 0.000 1.146 502 Y CA 1.676 59.785 58.100 0.014 0.000 1.182 502 Y CB -0.023 38.444 38.460 0.013 0.000 0.983 502 Y HN 0.601 nan 8.280 nan 0.000 0.524 503 D N -2.020 118.482 120.400 0.169 0.000 2.887 503 D HA 0.538 5.179 4.640 0.001 0.000 0.221 503 D C -0.410 175.936 176.300 0.076 0.000 1.276 503 D CA -0.172 53.892 54.000 0.107 0.000 1.078 503 D CB 0.513 41.373 40.800 0.099 0.000 1.217 503 D HN -0.010 nan 8.370 nan 0.000 0.631 504 S N -2.722 113.021 115.700 0.071 0.000 2.672 504 S HA 0.800 5.270 4.470 0.001 0.000 0.271 504 S C -0.533 174.108 174.600 0.068 0.000 1.171 504 S CA -0.534 57.703 58.200 0.061 0.000 0.817 504 S CB 1.406 64.635 63.200 0.048 0.000 1.150 504 S HN 1.190 nan 8.310 nan 0.000 0.478 505 G N -1.169 107.670 108.800 0.066 0.000 2.646 505 G HA2 0.748 4.709 3.960 0.001 0.000 0.291 505 G HA3 0.748 4.709 3.960 0.001 0.000 0.291 505 G C -0.609 174.330 174.900 0.065 0.000 1.445 505 G CA -0.262 44.882 45.100 0.073 0.000 0.814 505 G HN 1.592 nan 8.290 nan 0.000 0.495 506 A N -0.066 122.794 122.820 0.067 0.000 2.643 506 A HA 0.715 5.035 4.320 0.001 0.000 0.295 506 A C 0.924 178.545 177.584 0.062 0.000 1.065 506 A CA 0.512 52.584 52.037 0.057 0.000 0.986 506 A CB -0.109 18.921 19.000 0.049 0.000 1.212 506 A HN 1.509 nan 8.150 nan 0.000 0.516 507 G N 0.096 108.943 108.800 0.078 0.000 2.539 507 G HA2 0.488 4.449 3.960 0.001 0.000 0.258 507 G HA3 0.488 4.449 3.960 0.001 0.000 0.258 507 G C -0.297 174.642 174.900 0.065 0.000 1.202 507 G CA -0.302 44.848 45.100 0.083 0.000 0.851 507 G HN 0.333 nan 8.290 nan 0.000 0.556 508 K N -0.274 120.158 120.400 0.054 0.000 2.422 508 K HA 0.559 4.880 4.320 0.001 0.000 0.251 508 K C -0.410 176.211 176.600 0.035 0.000 0.933 508 K CA -0.718 55.592 56.287 0.038 0.000 0.798 508 K CB 2.574 35.089 32.500 0.025 0.000 1.238 508 K HN 0.604 nan 8.250 nan 0.000 0.428 509 G N 2.881 111.702 108.800 0.035 0.000 2.544 509 G HA2 0.666 4.627 3.960 0.001 0.000 0.313 509 G HA3 0.666 4.627 3.960 0.001 0.000 0.313 509 G C -0.985 173.937 174.900 0.038 0.000 1.316 509 G CA -0.494 44.627 45.100 0.036 0.000 0.944 509 G HN 0.363 nan 8.290 nan 0.000 0.489 510 L N 1.129 122.374 121.223 0.037 0.000 2.371 510 L HA 0.614 4.955 4.340 0.001 0.000 0.262 510 L C -0.206 176.721 176.870 0.096 0.000 1.006 510 L CA -1.098 53.775 54.840 0.055 0.000 0.818 510 L CB 2.757 44.839 42.059 0.037 0.000 1.354 510 L HN 0.324 nan 8.230 nan 0.000 0.415 511 K N 1.250 121.729 120.400 0.132 0.000 2.207 511 K HA 0.844 5.165 4.320 0.001 0.000 0.255 511 K C -1.000 175.718 176.600 0.198 0.000 0.941 511 K CA -0.752 55.679 56.287 0.240 0.000 0.825 511 K CB 2.443 35.111 32.500 0.280 0.000 1.119 511 K HN 0.649 nan 8.250 nan 0.000 0.430 512 A N 2.488 125.476 122.820 0.280 0.000 2.375 512 A HA 0.323 4.644 4.320 0.001 0.000 0.291 512 A C -0.186 177.552 177.584 0.257 0.000 1.160 512 A CA -0.692 51.468 52.037 0.205 0.000 0.747 512 A CB 0.606 19.710 19.000 0.174 0.000 1.170 512 A HN 0.825 nan 8.150 nan 0.000 0.458 513 K N 0.767 121.241 120.400 0.123 0.000 2.402 513 K HA 0.171 4.492 4.320 0.001 0.000 0.204 513 K C 0.228 176.859 176.600 0.053 0.000 1.056 513 K CA 0.850 57.179 56.287 0.069 0.000 1.069 513 K CB 0.975 33.409 32.500 -0.111 0.000 0.888 513 K HN 0.828 nan 8.250 nan 0.000 0.546 514 T N -4.641 109.946 114.554 0.055 0.000 2.864 514 T HA 0.339 4.689 4.350 0.001 0.000 0.299 514 T C 1.127 175.857 174.700 0.050 0.000 1.166 514 T CA -0.523 61.602 62.100 0.042 0.000 1.007 514 T CB 1.641 70.523 68.868 0.023 0.000 1.219 514 T HN -0.014 nan 8.240 nan 0.000 0.506 515 G N 0.313 109.137 108.800 0.040 0.000 2.469 515 G HA2 0.011 3.972 3.960 0.001 0.000 0.220 515 G HA3 0.011 3.972 3.960 0.001 0.000 0.220 515 G C 1.464 176.389 174.900 0.041 0.000 1.136 515 G CA 0.965 46.088 45.100 0.039 0.000 0.759 515 G HN 1.181 nan 8.290 nan 0.000 0.562 516 G N 0.381 109.201 108.800 0.034 0.000 2.402 516 G HA2 -0.096 3.864 3.960 0.001 0.000 0.216 516 G HA3 -0.096 3.864 3.960 0.001 0.000 0.216 516 G C 1.619 176.543 174.900 0.040 0.000 1.162 516 G CA 1.011 46.130 45.100 0.032 0.000 0.777 516 G HN 0.526 nan 8.290 nan 0.000 0.539 517 E N -0.408 119.819 120.200 0.044 0.000 2.106 517 E HA -0.072 4.278 4.350 0.001 0.000 0.192 517 E C 2.360 179.004 176.600 0.073 0.000 0.984 517 E CA 0.551 56.982 56.400 0.052 0.000 0.806 517 E CB -0.129 29.602 29.700 0.052 0.000 0.750 517 E HN 0.334 nan 8.360 nan 0.000 0.458 518 L N 1.051 122.326 121.223 0.086 0.000 2.017 518 L HA -0.117 4.224 4.340 0.001 0.000 0.208 518 L C 2.212 179.147 176.870 0.109 0.000 1.073 518 L CA 2.042 56.951 54.840 0.114 0.000 0.745 518 L CB -0.710 41.417 42.059 0.113 0.000 0.894 518 L HN 0.029 nan 8.230 nan 0.000 0.432 519 A N -0.839 122.028 122.820 0.079 0.000 1.908 519 A HA -0.189 4.132 4.320 0.001 0.000 0.218 519 A C 2.142 179.765 177.584 0.065 0.000 1.181 519 A CA 1.760 53.838 52.037 0.070 0.000 0.627 519 A CB -0.593 18.437 19.000 0.050 0.000 0.818 519 A HN 0.532 nan 8.150 nan 0.000 0.445 520 E N -0.076 120.157 120.200 0.056 0.000 2.072 520 E HA -0.089 4.262 4.350 0.001 0.000 0.191 520 E C 2.354 178.984 176.600 0.050 0.000 0.985 520 E CA 1.208 57.636 56.400 0.046 0.000 0.801 520 E CB -0.720 29.003 29.700 0.038 0.000 0.750 520 E HN 0.570 nan 8.360 nan 0.000 0.452 521 A N 1.306 124.162 122.820 0.061 0.000 1.902 521 A HA -0.157 4.163 4.320 0.001 0.000 0.217 521 A C 2.357 179.971 177.584 0.050 0.000 1.181 521 A CA 1.222 53.292 52.037 0.054 0.000 0.623 521 A CB -0.713 18.328 19.000 0.068 0.000 0.818 521 A HN 0.193 nan 8.150 nan 0.000 0.443 522 I N -0.565 120.058 120.570 0.089 0.000 2.286 522 I HA -0.292 3.878 4.170 0.001 0.000 0.248 522 I C 2.470 178.626 176.117 0.066 0.000 1.115 522 I CA 1.584 62.946 61.300 0.103 0.000 1.392 522 I CB -0.292 37.812 38.000 0.172 0.000 1.065 522 I HN 0.332 nan 8.210 nan 0.000 0.418 523 K N 0.360 120.793 120.400 0.056 0.000 2.026 523 K HA -0.145 4.175 4.320 0.001 0.000 0.208 523 K C 2.068 178.687 176.600 0.032 0.000 1.048 523 K CA 1.355 57.667 56.287 0.042 0.000 0.929 523 K CB -0.277 32.246 32.500 0.037 0.000 0.713 523 K HN 0.138 nan 8.250 nan 0.000 0.439 524 V N 1.418 121.348 119.914 0.027 0.000 2.407 524 V HA -0.272 3.849 4.120 0.001 0.000 0.248 524 V C 2.338 178.439 176.094 0.012 0.000 1.055 524 V CA 2.027 64.339 62.300 0.020 0.000 1.049 524 V CB -0.705 31.130 31.823 0.018 0.000 0.662 524 V HN 0.374 nan 8.190 nan 0.000 0.455 525 A N -0.275 122.547 122.820 0.003 0.000 1.902 525 A HA -0.133 4.188 4.320 0.001 0.000 0.217 525 A C 2.194 179.780 177.584 0.003 0.000 1.181 525 A CA 1.685 53.712 52.037 -0.017 0.000 0.623 525 A CB -0.493 18.468 19.000 -0.065 0.000 0.818 525 A HN 0.504 nan 8.150 nan 0.000 0.443 526 L N -0.941 120.294 121.223 0.019 0.000 2.141 526 L HA -0.122 4.219 4.340 0.001 0.000 0.209 526 L C 2.841 179.726 176.870 0.025 0.000 1.094 526 L CA 0.893 55.750 54.840 0.028 0.000 0.763 526 L CB -0.321 41.761 42.059 0.038 0.000 0.908 526 L HN 0.427 nan 8.230 nan 0.000 0.437 527 A N -0.882 121.952 122.820 0.023 0.000 2.169 527 A HA -0.068 4.252 4.320 0.001 0.000 0.212 527 A C 1.030 178.627 177.584 0.021 0.000 1.153 527 A CA 0.302 52.352 52.037 0.022 0.000 0.756 527 A CB -0.446 18.567 19.000 0.021 0.000 0.813 527 A HN 0.338 nan 8.150 nan 0.000 0.471 528 N N 1.047 119.759 118.700 0.020 0.000 2.555 528 N HA 0.111 4.851 4.740 0.001 0.000 0.244 528 N C 0.847 176.373 175.510 0.026 0.000 1.114 528 N CA 0.751 53.814 53.050 0.022 0.000 0.963 528 N CB 0.572 39.070 38.487 0.019 0.000 1.276 528 N HN 0.251 nan 8.380 nan 0.000 0.510 529 T N -1.362 113.209 114.554 0.028 0.000 3.086 529 T HA 0.167 4.518 4.350 0.001 0.000 0.250 529 T C 0.324 175.045 174.700 0.035 0.000 1.074 529 T CA 0.095 62.214 62.100 0.030 0.000 0.988 529 T CB 0.188 69.073 68.868 0.027 0.000 0.988 529 T HN 0.119 nan 8.240 nan 0.000 0.530 530 D N 0.880 121.303 120.400 0.037 0.000 2.407 530 D HA 0.386 5.027 4.640 0.001 0.000 0.208 530 D C 0.915 177.247 176.300 0.052 0.000 1.083 530 D CA 0.378 54.403 54.000 0.043 0.000 0.844 530 D CB 0.977 41.801 40.800 0.039 0.000 0.967 530 D HN 0.645 nan 8.370 nan 0.000 0.506 531 G N 0.410 109.243 108.800 0.054 0.000 2.506 531 G HA2 0.369 4.330 3.960 0.001 0.000 0.292 531 G HA3 0.369 4.330 3.960 0.001 0.000 0.292 531 G C -3.088 171.849 174.900 0.061 0.000 1.425 531 G CA -0.987 44.152 45.100 0.065 0.000 0.788 531 G HN -0.303 nan 8.290 nan 0.000 0.490 532 P HA 0.337 nan 4.420 nan 0.000 0.272 532 P C -0.522 176.802 177.300 0.040 0.000 1.230 532 P CA 0.200 63.337 63.100 0.062 0.000 0.788 532 P CB 1.146 32.901 31.700 0.092 0.000 0.949 533 T N 2.402 116.954 114.554 -0.003 0.000 2.815 533 T HA 0.397 4.747 4.350 0.001 0.000 0.289 533 T C -0.240 174.409 174.700 -0.086 0.000 1.000 533 T CA -0.414 61.666 62.100 -0.034 0.000 0.958 533 T CB 0.547 69.380 68.868 -0.058 0.000 0.944 533 T HN 0.284 nan 8.240 nan 0.000 0.442 534 L N 5.217 126.409 121.223 -0.051 0.000 2.264 534 L HA 0.617 4.958 4.340 0.001 0.000 0.289 534 L C -0.941 175.864 176.870 -0.109 0.000 1.044 534 L CA -0.726 54.057 54.840 -0.095 0.000 0.807 534 L CB 0.325 42.361 42.059 -0.038 0.000 1.192 534 L HN 0.643 nan 8.230 nan 0.000 0.425 535 I N 5.166 125.626 120.570 -0.182 0.000 2.330 535 I HA 0.235 4.406 4.170 0.001 0.000 0.286 535 I C 0.037 176.120 176.117 -0.057 0.000 1.025 535 I CA -0.334 60.906 61.300 -0.099 0.000 1.197 535 I CB 1.344 39.270 38.000 -0.123 0.000 1.358 535 I HN 0.615 nan 8.210 nan 0.000 0.467 536 E N 6.266 126.451 120.200 -0.025 0.000 2.070 536 E HA 0.211 4.562 4.350 0.001 0.000 0.282 536 E C -1.109 175.448 176.600 -0.071 0.000 1.104 536 E CA -0.505 55.833 56.400 -0.104 0.000 0.876 536 E CB 0.597 30.266 29.700 -0.053 0.000 1.055 536 E HN 0.618 nan 8.360 nan 0.000 0.401 537 C N 5.750 124.975 119.300 -0.125 0.000 2.307 537 C HA 0.392 4.853 4.460 0.001 0.000 0.340 537 C C -0.409 174.510 174.990 -0.119 0.000 1.275 537 C CA -0.829 58.192 59.018 0.005 0.000 1.811 537 C CB -0.770 27.005 27.740 0.058 0.000 2.372 537 C HN 0.596 nan 8.230 nan 0.000 0.531 538 F N 4.763 124.734 119.950 0.036 0.000 2.385 538 F HA 0.669 5.197 4.527 0.001 0.000 0.360 538 F C 0.591 176.408 175.800 0.029 0.000 1.122 538 F CA -0.519 57.502 58.000 0.034 0.000 1.090 538 F CB 0.485 39.502 39.000 0.029 0.000 1.150 538 F HN 0.496 nan 8.300 nan 0.000 0.472 539 I N -0.537 120.122 120.570 0.148 0.000 3.074 539 I HA 0.919 5.090 4.170 0.001 0.000 0.310 539 I C 0.140 176.316 176.117 0.098 0.000 1.153 539 I CA -1.346 60.018 61.300 0.106 0.000 0.993 539 I CB 1.770 39.807 38.000 0.063 0.000 1.237 539 I HN 0.540 nan 8.210 nan 0.000 0.443 540 G N 1.320 110.167 108.800 0.079 0.000 2.569 540 G HA2 0.208 4.169 3.960 0.001 0.000 0.249 540 G HA3 0.208 4.169 3.960 0.001 0.000 0.249 540 G C 0.457 175.391 174.900 0.057 0.000 1.216 540 G CA -0.405 44.738 45.100 0.072 0.000 0.845 540 G HN 0.977 nan 8.290 nan 0.000 0.568 541 R N -0.008 120.525 120.500 0.056 0.000 2.081 541 R HA -0.092 4.248 4.340 0.001 0.000 0.235 541 R C 1.931 178.239 176.300 0.014 0.000 1.131 541 R CA 1.879 57.997 56.100 0.031 0.000 0.960 541 R CB -0.153 30.157 30.300 0.016 0.000 0.856 541 R HN 0.555 nan 8.270 nan 0.000 0.436 542 E N 0.510 120.717 120.200 0.011 0.000 2.418 542 E HA -0.089 4.261 4.350 0.001 0.000 0.197 542 E C -0.275 176.324 176.600 -0.002 0.000 1.026 542 E CA 0.663 57.062 56.400 -0.001 0.000 0.862 542 E CB -0.012 29.685 29.700 -0.004 0.000 0.799 542 E HN 0.285 nan 8.360 nan 0.000 0.518 543 D N 0.504 120.909 120.400 0.008 0.000 2.508 543 D HA 0.049 4.689 4.640 0.001 0.000 0.224 543 D C -0.742 175.561 176.300 0.004 0.000 1.171 543 D CA -0.284 53.721 54.000 0.008 0.000 1.006 543 D CB -0.410 40.402 40.800 0.020 0.000 1.073 543 D HN 0.157 nan 8.370 nan 0.000 0.513 544 C N 0.730 120.024 119.300 -0.011 0.000 3.161 544 C HA 0.854 5.315 4.460 0.001 0.000 0.330 544 C C 0.673 175.641 174.990 -0.035 0.000 1.396 544 C CA -0.760 58.248 59.018 -0.018 0.000 1.536 544 C CB 0.738 28.459 27.740 -0.032 0.000 1.978 544 C HN 0.493 nan 8.230 nan 0.000 0.454 545 T N -1.096 113.431 114.554 -0.045 0.000 2.903 545 T HA 0.209 4.560 4.350 0.001 0.000 0.314 545 T C 0.674 175.303 174.700 -0.118 0.000 1.078 545 T CA 0.294 62.359 62.100 -0.059 0.000 1.114 545 T CB 0.334 69.187 68.868 -0.024 0.000 0.987 545 T HN 0.818 nan 8.240 nan 0.000 0.548 546 E N 1.177 121.323 120.200 -0.089 0.000 2.153 546 E HA -0.158 4.192 4.350 0.001 0.000 0.194 546 E C 2.045 178.550 176.600 -0.159 0.000 0.988 546 E CA 1.339 57.680 56.400 -0.098 0.000 0.811 546 E CB -0.065 29.599 29.700 -0.060 0.000 0.746 546 E HN 0.788 nan 8.360 nan 0.000 0.466 547 E N 0.836 120.920 120.200 -0.193 0.000 2.077 547 E HA -0.194 4.157 4.350 0.001 0.000 0.193 547 E C 1.951 178.170 176.600 -0.635 0.000 0.989 547 E CA 0.663 56.891 56.400 -0.286 0.000 0.800 547 E CB -0.165 29.471 29.700 -0.108 0.000 0.746 547 E HN 0.110 nan 8.360 nan 0.000 0.452 548 L N 0.322 120.956 121.223 -0.982 0.000 2.042 548 L HA -0.168 4.172 4.340 0.001 0.000 0.210 548 L C 2.023 178.670 176.870 -0.372 0.000 1.076 548 L CA 1.512 55.695 54.840 -1.094 0.000 0.749 548 L CB -0.454 41.146 42.059 -0.766 0.000 0.893 548 L HN 0.023 nan 8.230 nan 0.000 0.432 549 V N -0.067 119.694 119.914 -0.254 0.000 2.295 549 V HA -0.302 3.818 4.120 0.001 0.000 0.246 549 V C 2.622 178.649 176.094 -0.110 0.000 1.049 549 V CA 2.240 64.458 62.300 -0.136 0.000 1.024 549 V CB -0.807 30.953 31.823 -0.105 0.000 0.648 549 V HN 0.467 nan 8.190 nan 0.000 0.447 550 K N -1.159 119.170 120.400 -0.118 0.000 2.002 550 K HA -0.257 4.064 4.320 0.001 0.000 0.209 550 K C 1.997 178.553 176.600 -0.073 0.000 1.048 550 K CA 2.162 58.398 56.287 -0.085 0.000 0.930 550 K CB -0.385 32.070 32.500 -0.075 0.000 0.714 550 K HN 0.611 nan 8.250 nan 0.000 0.438 551 W N 1.532 122.651 121.300 -0.302 0.000 2.358 551 W HA -0.132 4.528 4.660 0.001 0.000 0.303 551 W C 2.007 178.401 176.519 -0.207 0.000 1.208 551 W CA 2.001 59.169 57.345 -0.294 0.000 1.274 551 W CB -0.689 28.537 29.460 -0.390 0.000 1.138 551 W HN 0.116 nan 8.180 nan 0.000 0.515 552 G N 0.637 109.389 108.800 -0.081 0.000 2.469 552 G HA2 -0.334 3.627 3.960 0.001 0.000 0.219 552 G HA3 -0.334 3.627 3.960 0.001 0.000 0.219 552 G C 1.504 176.246 174.900 -0.263 0.000 1.150 552 G CA 1.333 46.301 45.100 -0.219 0.000 0.763 552 G HN 0.321 nan 8.290 nan 0.000 0.561 553 K N -0.253 120.041 120.400 -0.176 0.000 2.057 553 K HA -0.019 4.302 4.320 0.001 0.000 0.207 553 K C 2.793 179.295 176.600 -0.164 0.000 1.049 553 K CA 0.766 56.975 56.287 -0.131 0.000 0.931 553 K CB -0.068 32.381 32.500 -0.085 0.000 0.714 553 K HN 0.042 nan 8.250 nan 0.000 0.440 554 R N 0.529 120.894 120.500 -0.226 0.000 2.075 554 R HA -0.051 4.289 4.340 0.001 0.000 0.232 554 R C 2.333 178.467 176.300 -0.276 0.000 1.126 554 R CA 0.834 56.804 56.100 -0.216 0.000 0.963 554 R CB -0.970 29.196 30.300 -0.224 0.000 0.858 554 R HN 0.061 nan 8.270 nan 0.000 0.435 555 V N 1.552 121.168 119.914 -0.497 0.000 2.287 555 V HA -0.257 3.863 4.120 0.001 0.000 0.248 555 V C 2.557 178.516 176.094 -0.226 0.000 1.053 555 V CA 1.999 64.013 62.300 -0.477 0.000 1.027 555 V CB -0.900 30.371 31.823 -0.921 0.000 0.646 555 V HN 0.343 nan 8.190 nan 0.000 0.447 556 A N -0.193 122.508 122.820 -0.197 0.000 1.908 556 A HA -0.198 4.122 4.320 0.001 0.000 0.218 556 A C 2.417 179.961 177.584 -0.066 0.000 1.181 556 A CA 2.386 54.366 52.037 -0.095 0.000 0.627 556 A CB -0.859 18.110 19.000 -0.052 0.000 0.818 556 A HN 0.613 nan 8.150 nan 0.000 0.445 557 A N -0.230 122.550 122.820 -0.067 0.000 1.877 557 A HA 0.148 4.468 4.320 0.001 0.000 0.216 557 A C 2.539 180.124 177.584 0.002 0.000 1.186 557 A CA 2.225 54.243 52.037 -0.031 0.000 0.620 557 A CB -1.102 17.881 19.000 -0.029 0.000 0.822 557 A HN 1.119 nan 8.150 nan 0.000 0.443 558 A N 0.337 123.164 122.820 0.012 0.000 1.883 558 A HA -0.248 4.072 4.320 0.001 0.000 0.217 558 A C 1.899 179.538 177.584 0.091 0.000 1.186 558 A CA 1.813 53.912 52.037 0.103 0.000 0.624 558 A CB -0.973 18.098 19.000 0.119 0.000 0.822 558 A HN 0.737 nan 8.150 nan 0.000 0.444 559 N N 0.020 118.741 118.700 0.035 0.000 2.166 559 N HA -0.136 4.604 4.740 0.001 0.000 0.186 559 N C 1.650 177.162 175.510 0.003 0.000 1.019 559 N CA 1.475 54.539 53.050 0.024 0.000 0.856 559 N CB -0.106 38.378 38.487 -0.006 0.000 0.993 559 N HN 0.634 nan 8.380 nan 0.000 0.426 560 S N 0.843 116.535 115.700 -0.014 0.000 2.556 560 S HA 0.056 4.526 4.470 0.001 0.000 0.216 560 S C 0.495 175.087 174.600 -0.013 0.000 0.970 560 S CA -0.642 57.539 58.200 -0.031 0.000 0.912 560 S CB -0.089 63.076 63.200 -0.058 0.000 0.790 560 S HN 0.236 nan 8.310 nan 0.000 0.504 561 R N 2.507 123.012 120.500 0.007 0.000 2.538 561 R HA 0.118 4.459 4.340 0.001 0.000 0.282 561 R C -0.086 176.214 176.300 -0.001 0.000 1.009 561 R CA -0.356 55.749 56.100 0.008 0.000 1.063 561 R CB -0.072 30.243 30.300 0.025 0.000 0.945 561 R HN 0.416 nan 8.270 nan 0.000 0.414 562 K N 2.982 123.379 120.400 -0.006 0.000 2.344 562 K HA 0.187 4.507 4.320 0.001 0.000 0.260 562 K C -2.074 174.519 176.600 -0.011 0.000 0.988 562 K CA -1.171 55.111 56.287 -0.010 0.000 0.909 562 K CB -0.202 32.292 32.500 -0.009 0.000 0.968 562 K HN 0.383 nan 8.250 nan 0.000 0.505 563 P HA 0.043 nan 4.420 nan 0.000 0.271 563 P C -0.675 176.615 177.300 -0.017 0.000 1.220 563 P CA -0.463 62.627 63.100 -0.015 0.000 0.768 563 P CB 0.758 32.449 31.700 -0.014 0.000 0.848 564 V N 3.252 123.153 119.914 -0.021 0.000 2.924 564 V HA 0.031 4.151 4.120 0.001 0.000 0.305 564 V C 0.951 177.033 176.094 -0.021 0.000 1.073 564 V CA -0.267 62.019 62.300 -0.023 0.000 1.098 564 V CB 0.553 32.357 31.823 -0.031 0.000 1.000 564 V HN 0.628 nan 8.190 nan 0.000 0.484 565 N N 3.756 122.445 118.700 -0.019 0.000 2.458 565 N HA 0.212 4.953 4.740 0.001 0.000 0.270 565 N C 0.265 175.764 175.510 -0.018 0.000 1.102 565 N CA -0.518 52.522 53.050 -0.017 0.000 0.967 565 N CB 0.512 38.990 38.487 -0.014 0.000 1.078 565 N HN 0.790 nan 8.380 nan 0.000 0.471 566 K N 0.000 120.390 120.400 -0.017 0.000 2.780 566 K HA 0.000 4.320 4.320 0.001 0.000 0.191 566 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 566 K CB 0.000 32.491 32.500 -0.014 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543